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

C24H22N2O2 — CID 53089405

IUPACN-(4-ethylphenyl)-2-(2-phenylethyl)-1,3-benzoxazole-6-carboxamide
SMILESCCc1ccc(NC(=O)c2ccc3nc(CCc4ccccc4)oc3c2)cc1
InChIInChI=1S/C24H22N2O2/c1-2-17-8-12-20(13-9-17)25-24(27)19-11-14-21-22(16-19)28-23(26-21)15-10-18-6-4-3-5-7-18/h3-9,11-14,16H,2,10,15H2,1H3,(H,25,27)
InChIKeyVVANYNQUTNYGGW-UHFFFAOYSA-N
MW370.45 g/mol
LogP5.43
Rot. Bonds6

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

N-(4-ethylphenyl)-2-(2-phenylethyl)-1,3-benzoxazole-6-carboxamide (PubChem CID 53089405) has the molecular formula C24H22N2O2 and a molecular weight of 370.45 g/mol. Its IUPAC name is N-(4-ethylphenyl)-2-(2-phenylethyl)-1,3-benzoxazole-6-carboxamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-2-(2-phenylethyl)-1,3-benzoxazole-6-carboxamide
PubChem CID53089405
Molecular FormulaC24H22N2O2
Molecular Weight370.45 g/mol
Exact Mass370.17
IUPAC NameN-(4-ethylphenyl)-2-(2-phenylethyl)-1,3-benzoxazole-6-carboxamide
SMILESCCc1ccc(NC(=O)c2ccc3nc(CCc4ccccc4)oc3c2)cc1
InChIInChI=1S/C24H22N2O2/c1-2-17-8-12-20(13-9-17)25-24(27)19-11-14-21-22(16-19)28-23(26-21)15-10-18-6-4-3-5-7-18/h3-9,11-14,16H,2,10,15H2,1H3,(H,25,27)
InChIKeyVVANYNQUTNYGGW-UHFFFAOYSA-N
XLogP5.43
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.45
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(4-ethylphenyl)-2-(2-phenylethyl)-1,3-benzoxazole-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-fluorophenyl)-2-(2-phenylethyl)-1,3-benzoxazole-6-carboxamide
CID 53089407
N-(2,4-difluorophenyl)-2-(2-phenylethyl)-1,3-benzoxazole-6-carboxamide
CID 53089404
N-[4-(1,3-benzoxazol-2-ylmethyl)phenyl]-4-ethylbenzamide
CID 54857948
N-cyclooctyl-2-(2-phenylethyl)-1,3-benzoxazole-6-carboxamide
CID 53089402
N-(4-ethylphenyl)benzamide
CID 774063
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-(2-phenylethyl)-1,3-benzoxazole-6-carboxamide
CID 95074858
4-ethyl-N-[4-[(5-methyl-1,3-benzoxazol-2-yl)methyl]phenyl]benzamide
CID 54857949
4-ethyl-N-[4-[(5-propan-2-yl-1,3-benzoxazol-2-yl)methyl]phenyl]benzamide
CID 54857952
4-benzamido-N-[(4-ethylphenyl)methyl]-N-methylbenzamide
CID 46536995
N-(3-benzamidophenyl)-4-ethylbenzamide
CID 17102471
N-[(2S)-1-amino-1-oxopropan-2-yl]-2-(2-phenylethyl)-1,3-benzoxazole-5-carboxamide
CID 28729704
4-tert-butyl-N-[4-[(5-ethyl-1,3-benzoxazol-2-yl)methyl]phenyl]benzamide
CID 54857974

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-2-(2-phenylethyl)-1,3-benzoxazole-6-carboxamide?
The IUPAC name of N-(4-ethylphenyl)-2-(2-phenylethyl)-1,3-benzoxazole-6-carboxamide (CID 53089405) is N-(4-ethylphenyl)-2-(2-phenylethyl)-1,3-benzoxazole-6-carboxamide.
What is the SMILES notation for N-(4-ethylphenyl)-2-(2-phenylethyl)-1,3-benzoxazole-6-carboxamide?
The canonical SMILES for N-(4-ethylphenyl)-2-(2-phenylethyl)-1,3-benzoxazole-6-carboxamide is CCc1ccc(NC(=O)c2ccc3nc(CCc4ccccc4)oc3c2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-2-(2-phenylethyl)-1,3-benzoxazole-6-carboxamide?
The InChIKey is VVANYNQUTNYGGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O2/c1-2-17-8-12-20(13-9-17)25-24(27)19-11-14-21-22(16-19)28-23(26-21)15-10-18-6-4-3-5-7-18/h3-9,11-14,16H,2,10,15H2,1H3,(H,25,27).
What are the key properties of N-(4-ethylphenyl)-2-(2-phenylethyl)-1,3-benzoxazole-6-carboxamide?
N-(4-ethylphenyl)-2-(2-phenylethyl)-1,3-benzoxazole-6-carboxamide has a molecular weight of 370.45 g/mol, XLogP of 5.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-2-(2-phenylethyl)-1,3-benzoxazole-6-carboxamide is sourced from PubChem (CID 53089405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).