N-[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]-2-phenoxypropanamide

C23H20N2O3 — CID 2900094

IUPACN-[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]-2-phenoxypropanamide
SMILESCc1ccc(-c2nc3ccccc3o2)cc1NC(=O)C(C)Oc1ccccc1
InChIInChI=1S/C23H20N2O3/c1-15-12-13-17(23-25-19-10-6-7-11-21(19)28-23)14-20(15)24-22(26)16(2)27-18-8-4-3-5-9-18/h3-14,16H,1-2H3,(H,24,26)
InChIKeyVFCVLYHQYHZJPA-UHFFFAOYSA-N
MW372.42 g/mol
LogP5.21
Rot. Bonds5

About N-[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]-2-phenoxypropanamide

N-[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]-2-phenoxypropanamide (PubChem CID 2900094) has the molecular formula C23H20N2O3 and a molecular weight of 372.42 g/mol. Its IUPAC name is N-[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]-2-phenoxypropanamide.

Molecular Properties

Compound NameN-[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]-2-phenoxypropanamide
PubChem CID2900094
Molecular FormulaC23H20N2O3
Molecular Weight372.42 g/mol
Exact Mass372.15
IUPAC NameN-[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]-2-phenoxypropanamide
SMILESCc1ccc(-c2nc3ccccc3o2)cc1NC(=O)C(C)Oc1ccccc1
InChIInChI=1S/C23H20N2O3/c1-15-12-13-17(23-25-19-10-6-7-11-21(19)28-23)14-20(15)24-22(26)16(2)27-18-8-4-3-5-9-18/h3-14,16H,1-2H3,(H,24,26)
InChIKeyVFCVLYHQYHZJPA-UHFFFAOYSA-N
XLogP5.21
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.42
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]-2-phenoxypropanamide 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)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-phenoxypropanamide
CID 1098892
N-[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]-2-methyl-2-phenoxypropanamide
CID 30307943
(2R)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(3-methylphenoxy)propanamide
CID 9349857
N-[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]-2,2-dimethylpropanamide
CID 23102429
(2S)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(3-chlorophenoxy)propanamide
CID 9323078
(2R)-N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-(4-fluorophenoxy)propanamide
CID 42280162
(2S)-N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-(4-fluorophenoxy)propanamide
CID 42280164
2-(4-methylphenoxy)-N-(2-phenyl-1,3-benzoxazol-5-yl)propanamide
CID 118259636
(2S)-N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]-2-phenoxypropanamide
CID 92869531
(2R)-N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-2-(2,4-dichlorophenoxy)propanamide
CID 2204089
N-[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]-4-ethoxybenzamide
CID 1109001
N-[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]-2-(2-methylphenoxy)acetamide
CID 1372017

Frequently Asked Questions

What is the IUPAC name of N-[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]-2-phenoxypropanamide?
The IUPAC name of N-[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]-2-phenoxypropanamide (CID 2900094) is N-[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]-2-phenoxypropanamide.
What is the SMILES notation for N-[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]-2-phenoxypropanamide?
The canonical SMILES for N-[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]-2-phenoxypropanamide is Cc1ccc(-c2nc3ccccc3o2)cc1NC(=O)C(C)Oc1ccccc1.
What is the InChIKey of N-[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]-2-phenoxypropanamide?
The InChIKey is VFCVLYHQYHZJPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O3/c1-15-12-13-17(23-25-19-10-6-7-11-21(19)28-23)14-20(15)24-22(26)16(2)27-18-8-4-3-5-9-18/h3-14,16H,1-2H3,(H,24,26).
What are the key properties of N-[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]-2-phenoxypropanamide?
N-[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]-2-phenoxypropanamide has a molecular weight of 372.42 g/mol, XLogP of 5.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]-2-phenoxypropanamide is sourced from PubChem (CID 2900094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).