(4R)-3-methyl-4-phenyl-5H-1,2-oxazole-4-carboxylic acid

C11H11NO3 — CID 10679745

IUPAC(4R)-3-methyl-4-phenyl-5H-1,2-oxazole-4-carboxylic acid
SMILESCC1=NOC[C@@]1(C(=O)O)c1ccccc1
InChIInChI=1S/C11H11NO3/c1-8-11(10(13)14,7-15-12-8)9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,13,14)/t11-/m0/s1
InChIKeyMZSAYSYHNUESAX-NSHDSACASA-N
MW205.21 g/mol
LogP1.42
Rot. Bonds2

About (4R)-3-methyl-4-phenyl-5H-1,2-oxazole-4-carboxylic acid

(4R)-3-methyl-4-phenyl-5H-1,2-oxazole-4-carboxylic acid (PubChem CID 10679745) has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is (4R)-3-methyl-4-phenyl-5H-1,2-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name(4R)-3-methyl-4-phenyl-5H-1,2-oxazole-4-carboxylic acid
PubChem CID10679745
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Name(4R)-3-methyl-4-phenyl-5H-1,2-oxazole-4-carboxylic acid
SMILESCC1=NOC[C@@]1(C(=O)O)c1ccccc1
InChIInChI=1S/C11H11NO3/c1-8-11(10(13)14,7-15-12-8)9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,13,14)/t11-/m0/s1
InChIKeyMZSAYSYHNUESAX-NSHDSACASA-N
XLogP1.42
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4R)-3-methyl-4-phenyl-5H-1,2-oxazole-4-carboxylic 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

2,5-dioxo-3-phenylpyrrolidine-3-carboxylic acid
CID 161371718
1-(3-methyl-2-phenylazirin-2-yl)ethanone
CID 101479142
trimethyl-[(2S)-2-phenyloxiran-2-yl]silane
CID 135037115
1-(5-methyl-2,2-diphenyl-1,3-dioxan-5-yl)ethanone
CID 90221549
(2S,3S)-2,3-dimethyl-3-phenyloxirane-2-carboxylic acid
CID 163625725
1-phenylcyclohexa-2,5-diene-1-carboxylic acid
CID 11481068
2-phenylimidazole-2-carboxylic acid
CID 23037034
(1-phenyl-2-oxabicyclo[2.2.2]octan-4-yl)carbamic acid
CID 130431703
ethyl 5,5-diphenyl-4H-1,2-oxazole-3-carboxylate
CID 6451155
tert-butyl 4-(2-phenyloxiran-2-yl)piperidine-1-carboxylate
CID 102537824
N-(1-phenylcyclopropyl)propanamide
CID 110441332
3-(2-methylphenyl)-4H-1,2-oxazole-5,5-dicarboxylic acid
CID 175539992

Frequently Asked Questions

What is the IUPAC name of (4R)-3-methyl-4-phenyl-5H-1,2-oxazole-4-carboxylic acid?
The IUPAC name of (4R)-3-methyl-4-phenyl-5H-1,2-oxazole-4-carboxylic acid (CID 10679745) is (4R)-3-methyl-4-phenyl-5H-1,2-oxazole-4-carboxylic acid.
What is the SMILES notation for (4R)-3-methyl-4-phenyl-5H-1,2-oxazole-4-carboxylic acid?
The canonical SMILES for (4R)-3-methyl-4-phenyl-5H-1,2-oxazole-4-carboxylic acid is CC1=NOC[C@@]1(C(=O)O)c1ccccc1.
What is the InChIKey of (4R)-3-methyl-4-phenyl-5H-1,2-oxazole-4-carboxylic acid?
The InChIKey is MZSAYSYHNUESAX-NSHDSACASA-N. The full InChI is InChI=1S/C11H11NO3/c1-8-11(10(13)14,7-15-12-8)9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,13,14)/t11-/m0/s1.
What are the key properties of (4R)-3-methyl-4-phenyl-5H-1,2-oxazole-4-carboxylic acid?
(4R)-3-methyl-4-phenyl-5H-1,2-oxazole-4-carboxylic acid has a molecular weight of 205.21 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-methyl-4-phenyl-5H-1,2-oxazole-4-carboxylic acid is sourced from PubChem (CID 10679745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).