(5S)-3-(2-methoxyphenyl)-N-[(1R)-1-(4-methylphenyl)propyl]-4,5-dihydro-1,2-oxazole-5-carboxamide

C21H24N2O3 — CID 29095330

IUPAC(5S)-3-(2-methoxyphenyl)-N-[(1R)-1-(4-methylphenyl)propyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCC[C@@H](NC(=O)[C@@H]1CC(c2ccccc2OC)=NO1)c1ccc(C)cc1
InChIInChI=1S/C21H24N2O3/c1-4-17(15-11-9-14(2)10-12-15)22-21(24)20-13-18(23-26-20)16-7-5-6-8-19(16)25-3/h5-12,17,20H,4,13H2,1-3H3,(H,22,24)/t17-,20+/m1/s1
InChIKeyJKLYSZIOPXVJIM-XLIONFOSSA-N
MW352.43 g/mol
LogP3.76
Rot. Bonds6

About (5S)-3-(2-methoxyphenyl)-N-[(1R)-1-(4-methylphenyl)propyl]-4,5-dihydro-1,2-oxazole-5-carboxamide

(5S)-3-(2-methoxyphenyl)-N-[(1R)-1-(4-methylphenyl)propyl]-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 29095330) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is (5S)-3-(2-methoxyphenyl)-N-[(1R)-1-(4-methylphenyl)propyl]-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name(5S)-3-(2-methoxyphenyl)-N-[(1R)-1-(4-methylphenyl)propyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID29095330
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Name(5S)-3-(2-methoxyphenyl)-N-[(1R)-1-(4-methylphenyl)propyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCC[C@@H](NC(=O)[C@@H]1CC(c2ccccc2OC)=NO1)c1ccc(C)cc1
InChIInChI=1S/C21H24N2O3/c1-4-17(15-11-9-14(2)10-12-15)22-21(24)20-13-18(23-26-20)16-7-5-6-8-19(16)25-3/h5-12,17,20H,4,13H2,1-3H3,(H,22,24)/t17-,20+/m1/s1
InChIKeyJKLYSZIOPXVJIM-XLIONFOSSA-N
XLogP3.76
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (5S)-3-(2-methoxyphenyl)-N-[(1R)-1-(4-methylphenyl)propyl]-4,5-dihydro-1,2-oxazole-5-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

3-(2-methoxyphenyl)-N-[1-(4-methoxyphenyl)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 19493674
(5R)-3-(2-methoxyphenyl)-N-(2-methylpropyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 40638470
N-(2,6-dimethylphenyl)-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 19493638
(5S)-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylate
CID 6966211
3-(2-methoxyphenyl)-N-pyridin-4-yl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 19493623
(5S)-N-[(4-fluorophenyl)methyl]-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 40638425
3-(2-methoxyphenyl)-N-(6-methyl-1,3-benzothiazol-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 19493686
(5S)-N-[(2S)-butan-2-yl]-3-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 135829531
3-(2,5-dimethoxyphenyl)-N-(1-phenylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 17095866
N-(3-chlorophenyl)-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 19493687
(5S)-N-(2,4-difluorophenyl)-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 40638409
2,6-dimethoxy-N-[(1S)-1-(4-methylphenyl)propyl]benzamide
CID 94011780

Frequently Asked Questions

What is the IUPAC name of (5S)-3-(2-methoxyphenyl)-N-[(1R)-1-(4-methylphenyl)propyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of (5S)-3-(2-methoxyphenyl)-N-[(1R)-1-(4-methylphenyl)propyl]-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 29095330) is (5S)-3-(2-methoxyphenyl)-N-[(1R)-1-(4-methylphenyl)propyl]-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for (5S)-3-(2-methoxyphenyl)-N-[(1R)-1-(4-methylphenyl)propyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for (5S)-3-(2-methoxyphenyl)-N-[(1R)-1-(4-methylphenyl)propyl]-4,5-dihydro-1,2-oxazole-5-carboxamide is CC[C@@H](NC(=O)[C@@H]1CC(c2ccccc2OC)=NO1)c1ccc(C)cc1.
What is the InChIKey of (5S)-3-(2-methoxyphenyl)-N-[(1R)-1-(4-methylphenyl)propyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is JKLYSZIOPXVJIM-XLIONFOSSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-4-17(15-11-9-14(2)10-12-15)22-21(24)20-13-18(23-26-20)16-7-5-6-8-19(16)25-3/h5-12,17,20H,4,13H2,1-3H3,(H,22,24)/t17-,20+/m1/s1.
What are the key properties of (5S)-3-(2-methoxyphenyl)-N-[(1R)-1-(4-methylphenyl)propyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
(5S)-3-(2-methoxyphenyl)-N-[(1R)-1-(4-methylphenyl)propyl]-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 352.43 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-(2-methoxyphenyl)-N-[(1R)-1-(4-methylphenyl)propyl]-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 29095330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).