N-cyclopropyl-3-phenyl-2,1-benzoxazole-5-carboxamide

C17H14N2O2 — CID 9210227

IUPACN-cyclopropyl-3-phenyl-2,1-benzoxazole-5-carboxamide
SMILESO=C(NC1CC1)c1ccc2noc(-c3ccccc3)c2c1
InChIInChI=1S/C17H14N2O2/c20-17(18-13-7-8-13)12-6-9-15-14(10-12)16(21-19-15)11-4-2-1-3-5-11/h1-6,9-10,13H,7-8H2,(H,18,20)
InChIKeyYXXQLDFCEUVAJL-UHFFFAOYSA-N
MW278.31 g/mol
LogP3.39
Rot. Bonds3

About N-cyclopropyl-3-phenyl-2,1-benzoxazole-5-carboxamide

N-cyclopropyl-3-phenyl-2,1-benzoxazole-5-carboxamide (PubChem CID 9210227) has the molecular formula C17H14N2O2 and a molecular weight of 278.31 g/mol. Its IUPAC name is N-cyclopropyl-3-phenyl-2,1-benzoxazole-5-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-3-phenyl-2,1-benzoxazole-5-carboxamide
PubChem CID9210227
Molecular FormulaC17H14N2O2
Molecular Weight278.31 g/mol
Exact Mass278.11
IUPAC NameN-cyclopropyl-3-phenyl-2,1-benzoxazole-5-carboxamide
SMILESO=C(NC1CC1)c1ccc2noc(-c3ccccc3)c2c1
InChIInChI=1S/C17H14N2O2/c20-17(18-13-7-8-13)12-6-9-15-14(10-12)16(21-19-15)11-4-2-1-3-5-11/h1-6,9-10,13H,7-8H2,(H,18,20)
InChIKeyYXXQLDFCEUVAJL-UHFFFAOYSA-N
XLogP3.39
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-phenyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]-2,1-benzoxazole-5-carboxamide
CID 55849250
N-[(3S)-1-methylpiperidin-3-yl]-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 95976740
N-(2-oxoazepan-3-yl)-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 71891205
N-[(2S)-oxan-2-yl]oxy-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 52536018
[2-(cyclopentylamino)-2-oxoethyl] 3-phenyl-2,1-benzoxazole-5-carboxylate
CID 7503143
N-(4-acetamidophenyl)-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 7465275
3-phenyl-N-prop-2-ynyl-2,1-benzoxazole-5-carboxamide
CID 18110112
N-(2,2-difluoro-3-hydroxypropyl)-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 86796098
3-phenyl-N'-(thiophene-2-carbonyl)-2,1-benzoxazole-5-carbohydrazide
CID 9318764
(2S,3R)-3-hydroxy-2-[(3-phenyl-2,1-benzoxazole-5-carbonyl)amino]butanoic acid
CID 97263051
N-(1,3-benzodioxol-5-yl)-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 9191614
N-(4-methyl-2-pyridinyl)-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 24538064

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-phenyl-2,1-benzoxazole-5-carboxamide?
The IUPAC name of N-cyclopropyl-3-phenyl-2,1-benzoxazole-5-carboxamide (CID 9210227) is N-cyclopropyl-3-phenyl-2,1-benzoxazole-5-carboxamide.
What is the SMILES notation for N-cyclopropyl-3-phenyl-2,1-benzoxazole-5-carboxamide?
The canonical SMILES for N-cyclopropyl-3-phenyl-2,1-benzoxazole-5-carboxamide is O=C(NC1CC1)c1ccc2noc(-c3ccccc3)c2c1.
What is the InChIKey of N-cyclopropyl-3-phenyl-2,1-benzoxazole-5-carboxamide?
The InChIKey is YXXQLDFCEUVAJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2/c20-17(18-13-7-8-13)12-6-9-15-14(10-12)16(21-19-15)11-4-2-1-3-5-11/h1-6,9-10,13H,7-8H2,(H,18,20).
What are the key properties of N-cyclopropyl-3-phenyl-2,1-benzoxazole-5-carboxamide?
N-cyclopropyl-3-phenyl-2,1-benzoxazole-5-carboxamide has a molecular weight of 278.31 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-phenyl-2,1-benzoxazole-5-carboxamide is sourced from PubChem (CID 9210227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).