(3S)-3-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]-3-(4-propan-2-yloxyphenyl)propanoic acid

C23H24N2O5 — CID 1267772

IUPAC(3S)-3-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]-3-(4-propan-2-yloxyphenyl)propanoic acid
SMILESCc1onc(-c2ccccc2)c1C(=O)N[C@@H](CC(=O)O)c1ccc(OC(C)C)cc1
InChIInChI=1S/C23H24N2O5/c1-14(2)29-18-11-9-16(10-12-18)19(13-20(26)27)24-23(28)21-15(3)30-25-22(21)17-7-5-4-6-8-17/h4-12,14,19H,13H2,1-3H3,(H,24,28)(H,26,27)/t19-/m0/s1
InChIKeyVOEPGIKGVNVMFV-IBGZPJMESA-N
MW408.45 g/mol
LogP4.38
Rot. Bonds8

About (3S)-3-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]-3-(4-propan-2-yloxyphenyl)propanoic acid

(3S)-3-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]-3-(4-propan-2-yloxyphenyl)propanoic acid (PubChem CID 1267772) has the molecular formula C23H24N2O5 and a molecular weight of 408.45 g/mol. Its IUPAC name is (3S)-3-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]-3-(4-propan-2-yloxyphenyl)propanoic acid.

Molecular Properties

Compound Name(3S)-3-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]-3-(4-propan-2-yloxyphenyl)propanoic acid
PubChem CID1267772
Molecular FormulaC23H24N2O5
Molecular Weight408.45 g/mol
Exact Mass408.17
IUPAC Name(3S)-3-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]-3-(4-propan-2-yloxyphenyl)propanoic acid
SMILESCc1onc(-c2ccccc2)c1C(=O)N[C@@H](CC(=O)O)c1ccc(OC(C)C)cc1
InChIInChI=1S/C23H24N2O5/c1-14(2)29-18-11-9-16(10-12-18)19(13-20(26)27)24-23(28)21-15(3)30-25-22(21)17-7-5-4-6-8-17/h4-12,14,19H,13H2,1-3H3,(H,24,28)(H,26,27)/t19-/m0/s1
InChIKeyVOEPGIKGVNVMFV-IBGZPJMESA-N
XLogP4.38
TPSA101.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.45
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (3S)-3-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]-3-(4-propan-2-yloxyphenyl)propanoic acid 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

5-methyl-3-phenyl-N-[(4-propan-2-yloxyphenyl)methyl]-1,2-oxazole-4-carboxamide
CID 134054985
5-methyl-3-phenyl-N-[2-(4-propan-2-yloxyphenyl)ethyl]-1,2-oxazole-4-carboxamide
CID 33157326
N-[1-(4-methoxyphenyl)ethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 17330097
(3R)-3-phenyl-3-[(4-propan-2-yloxybenzoyl)amino]propanoic acid
CID 40514082
(3R)-3-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]-3-phenylpropanoic acid
CID 95766310
5-methyl-3-phenyl-N-(4-phenylbutan-2-yl)-1,2-oxazole-4-carboxamide
CID 2915253
3-[(4-chlorobenzoyl)amino]-3-(4-propan-2-yloxyphenyl)propanoic acid
CID 3927464
3-[(4-fluorobenzoyl)amino]-3-(4-propan-2-yloxyphenyl)propanoic acid
CID 3934367
3-(3-phenylbutanoylamino)-3-(4-propan-2-yloxyphenyl)propanoic acid
CID 4042816
N-[1-(furan-2-yl)ethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 18110349
(3R)-3-(4-propan-2-yloxyphenyl)-3-(thiophene-2-carbonylamino)propanoic acid
CID 1263207
5-methyl-3-phenyl-N-[(1R)-1-thiophen-2-ylethyl]-1,2-oxazole-4-carboxamide
CID 40819505

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]-3-(4-propan-2-yloxyphenyl)propanoic acid?
The IUPAC name of (3S)-3-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]-3-(4-propan-2-yloxyphenyl)propanoic acid (CID 1267772) is (3S)-3-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]-3-(4-propan-2-yloxyphenyl)propanoic acid.
What is the SMILES notation for (3S)-3-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]-3-(4-propan-2-yloxyphenyl)propanoic acid?
The canonical SMILES for (3S)-3-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]-3-(4-propan-2-yloxyphenyl)propanoic acid is Cc1onc(-c2ccccc2)c1C(=O)N[C@@H](CC(=O)O)c1ccc(OC(C)C)cc1.
What is the InChIKey of (3S)-3-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]-3-(4-propan-2-yloxyphenyl)propanoic acid?
The InChIKey is VOEPGIKGVNVMFV-IBGZPJMESA-N. The full InChI is InChI=1S/C23H24N2O5/c1-14(2)29-18-11-9-16(10-12-18)19(13-20(26)27)24-23(28)21-15(3)30-25-22(21)17-7-5-4-6-8-17/h4-12,14,19H,13H2,1-3H3,(H,24,28)(H,26,27)/t19-/m0/s1.
What are the key properties of (3S)-3-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]-3-(4-propan-2-yloxyphenyl)propanoic acid?
(3S)-3-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]-3-(4-propan-2-yloxyphenyl)propanoic acid has a molecular weight of 408.45 g/mol, XLogP of 4.38, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]-3-(4-propan-2-yloxyphenyl)propanoic acid is sourced from PubChem (CID 1267772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).