N-(2,4-difluorophenyl)-2-(2-phenylethyl)-1,3-benzoxazole-6-carboxamide

C22H16F2N2O2 — CID 53089404

IUPACN-(2,4-difluorophenyl)-2-(2-phenylethyl)-1,3-benzoxazole-6-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)c1ccc2nc(CCc3ccccc3)oc2c1
InChIInChI=1S/C22H16F2N2O2/c23-16-8-10-18(17(24)13-16)26-22(27)15-7-9-19-20(12-15)28-21(25-19)11-6-14-4-2-1-3-5-14/h1-5,7-10,12-13H,6,11H2,(H,26,27)
InChIKeyPJMQXHXKKDTQDY-UHFFFAOYSA-N
MW378.38 g/mol
LogP5.14
Rot. Bonds5

About N-(2,4-difluorophenyl)-2-(2-phenylethyl)-1,3-benzoxazole-6-carboxamide

N-(2,4-difluorophenyl)-2-(2-phenylethyl)-1,3-benzoxazole-6-carboxamide (PubChem CID 53089404) has the molecular formula C22H16F2N2O2 and a molecular weight of 378.38 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-2-(2-phenylethyl)-1,3-benzoxazole-6-carboxamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-2-(2-phenylethyl)-1,3-benzoxazole-6-carboxamide
PubChem CID53089404
Molecular FormulaC22H16F2N2O2
Molecular Weight378.38 g/mol
Exact Mass378.12
IUPAC NameN-(2,4-difluorophenyl)-2-(2-phenylethyl)-1,3-benzoxazole-6-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)c1ccc2nc(CCc3ccccc3)oc2c1
InChIInChI=1S/C22H16F2N2O2/c23-16-8-10-18(17(24)13-16)26-22(27)15-7-9-19-20(12-15)28-21(25-19)11-6-14-4-2-1-3-5-14/h1-5,7-10,12-13H,6,11H2,(H,26,27)
InChIKeyPJMQXHXKKDTQDY-UHFFFAOYSA-N
XLogP5.14
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.38
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-fluorophenyl)-2-(2-phenylethyl)-1,3-benzoxazole-6-carboxamide
CID 53089407
N-(4-ethylphenyl)-2-(2-phenylethyl)-1,3-benzoxazole-6-carboxamide
CID 53089405
1-N,4-N-bis(2,4-difluorophenyl)benzene-1,4-dicarboxamide
CID 3596826
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-(2-phenylethyl)-1,3-benzoxazole-6-carboxamide
CID 95074858
N-[2-(1,3-benzoxazol-2-yl)ethyl]-3-fluorobenzamide
CID 110711789
N-(2,4-difluorophenyl)-4-ethylbenzamide
CID 2478391
2-[(3-fluorobenzoyl)amino]-4-(2-phenylethyl)benzoic acid
CID 67344319
N-(2,4-difluorophenyl)-2-(3-phenylpropyl)benzamide
CID 87114822
N-(2,4-difluorophenyl)-2-(2-methyl-1,3-benzoxazol-6-yl)acetamide
CID 110772044
2-benzyl-N-(2,4-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 38764761
2-[(3-chlorophenyl)methyl]-N-(2-phenylethyl)-1,3-benzoxazole-6-carboxamide
CID 53089650
N-(2,4-difluorophenyl)-2,2-dimethyl-4-phenylbutanamide
CID 174373739

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-2-(2-phenylethyl)-1,3-benzoxazole-6-carboxamide?
The IUPAC name of N-(2,4-difluorophenyl)-2-(2-phenylethyl)-1,3-benzoxazole-6-carboxamide (CID 53089404) is N-(2,4-difluorophenyl)-2-(2-phenylethyl)-1,3-benzoxazole-6-carboxamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-2-(2-phenylethyl)-1,3-benzoxazole-6-carboxamide?
The canonical SMILES for N-(2,4-difluorophenyl)-2-(2-phenylethyl)-1,3-benzoxazole-6-carboxamide is O=C(Nc1ccc(F)cc1F)c1ccc2nc(CCc3ccccc3)oc2c1.
What is the InChIKey of N-(2,4-difluorophenyl)-2-(2-phenylethyl)-1,3-benzoxazole-6-carboxamide?
The InChIKey is PJMQXHXKKDTQDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F2N2O2/c23-16-8-10-18(17(24)13-16)26-22(27)15-7-9-19-20(12-15)28-21(25-19)11-6-14-4-2-1-3-5-14/h1-5,7-10,12-13H,6,11H2,(H,26,27).
What are the key properties of N-(2,4-difluorophenyl)-2-(2-phenylethyl)-1,3-benzoxazole-6-carboxamide?
N-(2,4-difluorophenyl)-2-(2-phenylethyl)-1,3-benzoxazole-6-carboxamide has a molecular weight of 378.38 g/mol, XLogP of 5.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-2-(2-phenylethyl)-1,3-benzoxazole-6-carboxamide is sourced from PubChem (CID 53089404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).