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5-tert-butyl-N-{[4-(2-cyclopropaneamidopyridin-4-yl)-2-methylphenyl]methyl}-1,2,4-oxadiazole-3-carboxamide

5-tert-butyl-N-{[4-(2-cyclopropaneamidopyridin-4-yl)-2-methylphenyl]methyl}-1,2,4-oxadiazole-3-carboxamide

CAS: 2554376-82-6

Formula: C24H27N5O3

SMILES: CC1=CC(=CC=C1CNC(=O)C1=NOC(=N1)C(C)(C)C)C1=CC(NC(=O)C2CC2)=NC=C1

IUPAC: 5-tert-butyl-N-{[4-(2-cyclopropaneamidopyridin-4-yl)-2-methylphenyl]methyl}-1,2,4-oxadiazole-3-carboxamide

InChI: InChI=1S/C24H27N5O3/c1-14-11-16(17-9-10-25-19(12-17)27-21(30)15-5-6-15)7-8-18(14)13-26-22(31)20-28-23(32-29-20)24(2,3)4/h7-12,15H,5-6,13H2,1-4H3,(H,26,31)(H,25,27,30)

Composition: C (66.50%), H (6.28%), N (16.16%), O (11.07%)

Molar Mass: 433.512

Atom Count: 59

Heavy Atom Count: 32

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 433.211389749
Formal Charge 0
FSP3 0.37
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 2
InChIKey VUQRWYFESUMOBH-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 123.66
Topological Polar Surface Area 110.01
Polarizability 46.65
Ring Count 4
Rotatable Bond Count 7

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Purity LeadTime CAS UnitPrice
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98% <5 Days 2554376-82-6 $242.11-$1,147.51$242.11$393.43$1,147.51
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