(2S)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-phenoxypropanamide

C22H18N2O3 — CID 1098892

IUPAC(2S)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-phenoxypropanamide
SMILESC[C@H](Oc1ccccc1)C(=O)Nc1ccc(-c2nc3ccccc3o2)cc1
InChIInChI=1S/C22H18N2O3/c1-15(26-18-7-3-2-4-8-18)21(25)23-17-13-11-16(12-14-17)22-24-19-9-5-6-10-20(19)27-22/h2-15H,1H3,(H,23,25)/t15-/m0/s1
InChIKeyKPLPOQCAINMRDK-HNNXBMFYSA-N
MW358.40 g/mol
LogP4.90
Rot. Bonds5

About (2S)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-phenoxypropanamide

(2S)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-phenoxypropanamide (PubChem CID 1098892) has the molecular formula C22H18N2O3 and a molecular weight of 358.40 g/mol. Its IUPAC name is (2S)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-phenoxypropanamide.

Molecular Properties

Compound Name(2S)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-phenoxypropanamide
PubChem CID1098892
Molecular FormulaC22H18N2O3
Molecular Weight358.40 g/mol
Exact Mass358.13
IUPAC Name(2S)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-phenoxypropanamide
SMILESC[C@H](Oc1ccccc1)C(=O)Nc1ccc(-c2nc3ccccc3o2)cc1
InChIInChI=1S/C22H18N2O3/c1-15(26-18-7-3-2-4-8-18)21(25)23-17-13-11-16(12-14-17)22-24-19-9-5-6-10-20(19)27-22/h2-15H,1H3,(H,23,25)/t15-/m0/s1
InChIKeyKPLPOQCAINMRDK-HNNXBMFYSA-N
XLogP4.90
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-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

(2R)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(3-methylphenoxy)propanamide
CID 9349857
(2S)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(3-chlorophenoxy)propanamide
CID 9323078
(2S)-N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]-2-phenoxypropanamide
CID 92869531
2-(4-methylphenoxy)-N-(2-phenyl-1,3-benzoxazol-5-yl)propanamide
CID 118259636
N-[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]-2-phenoxypropanamide
CID 2900094
(2R)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(2,4-dichlorophenoxy)propanamide
CID 2200168
N-[4-(1,3-benzoxazol-2-yl)phenyl]acetamide
CID 762785
N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-methylbutanamide
CID 2966077
(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-chlorophenoxy)-N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]propanamide
CID 17359912
2-(4-methoxyphenoxy)-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide
CID 17171857

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-phenoxypropanamide?
The IUPAC name of (2S)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-phenoxypropanamide (CID 1098892) is (2S)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-phenoxypropanamide.
What is the SMILES notation for (2S)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-phenoxypropanamide?
The canonical SMILES for (2S)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-phenoxypropanamide is C[C@H](Oc1ccccc1)C(=O)Nc1ccc(-c2nc3ccccc3o2)cc1.
What is the InChIKey of (2S)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-phenoxypropanamide?
The InChIKey is KPLPOQCAINMRDK-HNNXBMFYSA-N. The full InChI is InChI=1S/C22H18N2O3/c1-15(26-18-7-3-2-4-8-18)21(25)23-17-13-11-16(12-14-17)22-24-19-9-5-6-10-20(19)27-22/h2-15H,1H3,(H,23,25)/t15-/m0/s1.
What are the key properties of (2S)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-phenoxypropanamide?
(2S)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-phenoxypropanamide has a molecular weight of 358.40 g/mol, XLogP of 4.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-phenoxypropanamide is sourced from PubChem (CID 1098892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).