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4-[3-(2-{methyl[(2-methylphenyl)carbamoyl]amino}ethyl)-1,2,4-oxadiazol-5-yl]benzoic acid

4-[3-(2-{methyl[(2-methylphenyl)carbamoyl]amino}ethyl)-1,2,4-oxadiazol-5-yl]benzoic acid

CAS: 1142210-33-0

Formula: C20H20N4O4

SMILES: CN(CCC1=NOC(=N1)C1=CC=C(C=C1)C(O)=O)C(=O)NC1=C(C)C=CC=C1

IUPAC: 4-[3-(2-{methyl[(2-methylphenyl)carbamoyl]amino}ethyl)-1,2,4-oxadiazol-5-yl]benzoic acid

InChI: InChI=1S/C20H20N4O4/c1-13-5-3-4-6-16(13)21-20(27)24(2)12-11-17-22-18(28-23-17)14-7-9-15(10-8-14)19(25)26/h3-10H,11-12H2,1-2H3,(H,21,27)(H,25,26)

Composition: C (63.15%), H (5.30%), N (14.73%), O (16.82%)

Molar Mass: 380.404

Atom Count: 48

Heavy Atom Count: 28

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 380.14845514
Formal Charge 0
FSP3 0.2
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 2
InChIKey GXOBAAYJDLZICZ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 116.23
Topological Polar Surface Area 108.56
Polarizability 39.13
Ring Count 3
Rotatable Bond Count 6

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Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 1142210-33-0 $202.14$202.14
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