2-phenyl-N-(2-phenyl-1,3-benzoxazol-5-yl)propanamide

C22H18N2O2 — CID 118259648

IUPAC2-phenyl-N-(2-phenyl-1,3-benzoxazol-5-yl)propanamide
SMILESCC(C(=O)Nc1ccc2oc(-c3ccccc3)nc2c1)c1ccccc1
InChIInChI=1S/C22H18N2O2/c1-15(16-8-4-2-5-9-16)21(25)23-18-12-13-20-19(14-18)24-22(26-20)17-10-6-3-7-11-17/h2-15H,1H3,(H,23,25)
InChIKeyJCQKXGBMHMJIIB-UHFFFAOYSA-N
MW342.40 g/mol
LogP5.24
Rot. Bonds4

About 2-phenyl-N-(2-phenyl-1,3-benzoxazol-5-yl)propanamide

2-phenyl-N-(2-phenyl-1,3-benzoxazol-5-yl)propanamide (PubChem CID 118259648) has the molecular formula C22H18N2O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is 2-phenyl-N-(2-phenyl-1,3-benzoxazol-5-yl)propanamide.

Molecular Properties

Compound Name2-phenyl-N-(2-phenyl-1,3-benzoxazol-5-yl)propanamide
PubChem CID118259648
Molecular FormulaC22H18N2O2
Molecular Weight342.40 g/mol
Exact Mass342.14
IUPAC Name2-phenyl-N-(2-phenyl-1,3-benzoxazol-5-yl)propanamide
SMILESCC(C(=O)Nc1ccc2oc(-c3ccccc3)nc2c1)c1ccccc1
InChIInChI=1S/C22H18N2O2/c1-15(16-8-4-2-5-9-16)21(25)23-18-12-13-20-19(14-18)24-22(26-20)17-10-6-3-7-11-17/h2-15H,1H3,(H,23,25)
InChIKeyJCQKXGBMHMJIIB-UHFFFAOYSA-N
XLogP5.24
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.40
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-phenyl-N-(2-phenyl-1,3-benzoxazol-5-yl)propanamide 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

(2S)-2-phenyl-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide
CID 71662588
2-(3-chlorophenyl)-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide
CID 73296653
2-(4-methylphenoxy)-N-(2-phenyl-1,3-benzoxazol-5-yl)propanamide
CID 118259636
2-(2-chlorophenoxy)-N-(2-phenyl-1,3-benzoxazol-5-yl)propanamide
CID 118259641
(2S)-2-(2-chlorophenoxy)-N-(2-phenyl-1,3-benzoxazol-5-yl)propanamide
CID 118259676
2-naphthalen-1-yloxy-N-(2-phenyl-1,3-benzoxazol-5-yl)propanamide
CID 67473155
(2R)-2-(2,3-dichlorophenoxy)-N-(2-phenyl-1,3-benzoxazol-5-yl)propanamide
CID 118259642
2-phenyl-N-(2-phenyl-1,3-benzoxazol-5-yl)acetamide
CID 3013315
N-[4-[5-[(2R)-butan-2-yl]-1,3-benzoxazol-2-yl]phenyl]-2,2-diphenylacetamide
CID 28866087
(2S)-N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]-2-phenoxypropanamide
CID 92869531
2,2-dimethyl-N-[(2-phenyl-1,3-benzoxazol-5-yl)carbamothioyl]propanamide
CID 17099835
N-(2-phenyl-1,3-benzoxazol-5-yl)-3-propan-2-yloxybenzamide
CID 15997458

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-(2-phenyl-1,3-benzoxazol-5-yl)propanamide?
The IUPAC name of 2-phenyl-N-(2-phenyl-1,3-benzoxazol-5-yl)propanamide (CID 118259648) is 2-phenyl-N-(2-phenyl-1,3-benzoxazol-5-yl)propanamide.
What is the SMILES notation for 2-phenyl-N-(2-phenyl-1,3-benzoxazol-5-yl)propanamide?
The canonical SMILES for 2-phenyl-N-(2-phenyl-1,3-benzoxazol-5-yl)propanamide is CC(C(=O)Nc1ccc2oc(-c3ccccc3)nc2c1)c1ccccc1.
What is the InChIKey of 2-phenyl-N-(2-phenyl-1,3-benzoxazol-5-yl)propanamide?
The InChIKey is JCQKXGBMHMJIIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O2/c1-15(16-8-4-2-5-9-16)21(25)23-18-12-13-20-19(14-18)24-22(26-20)17-10-6-3-7-11-17/h2-15H,1H3,(H,23,25).
What are the key properties of 2-phenyl-N-(2-phenyl-1,3-benzoxazol-5-yl)propanamide?
2-phenyl-N-(2-phenyl-1,3-benzoxazol-5-yl)propanamide has a molecular weight of 342.40 g/mol, XLogP of 5.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-(2-phenyl-1,3-benzoxazol-5-yl)propanamide is sourced from PubChem (CID 118259648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).