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tert-butyl N-{2-[(5-chloro-1,3-benzoxazol-2-yl)(3-oxobutyl)amino]ethyl}carbamate

tert-butyl N-{2-[(5-chloro-1,3-benzoxazol-2-yl)(3-oxobutyl)amino]ethyl}carbamate

CAS: 1276666-10-4

Formula: C18H24ClN3O4

SMILES: CC(=O)CCN(CCNC(=O)OC(C)(C)C)C1=NC2=CC(Cl)=CC=C2O1

IUPAC: tert-butyl N-{2-[(5-chloro-1,3-benzoxazol-2-yl)(3-oxobutyl)amino]ethyl}carbamate

InChI: InChI=1S/C18H24ClN3O4/c1-12(23)7-9-22(10-8-20-17(24)26-18(2,3)4)16-21-14-11-13(19)5-6-15(14)25-16/h5-6,11H,7-10H2,1-4H3,(H,20,24)

Composition: C (56.62%), H (6.34%), Cl (9.28%), N (11.00%), O (16.76%)

Molar Mass: 381.86

Atom Count: 50

Heavy Atom Count: 26

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 381.145534
Formal Charge 0
FSP3 0.5
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey XFZWJFGWPOYEBZ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 98.59
Topological Polar Surface Area 84.67
Polarizability 39.1
Ring Count 2
Rotatable Bond Count 9

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Purity LeadTime CAS UnitPrice
98% <10 Days 1276666-10-4 Quote Only
Molecule Market Select
Purity LeadTime CAS PacketSize UnitPrice
97% <5 Days 1276666-10-4 $42.87-$342.99$42.87$69.36$177.80$342.99
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