(4S,5S)-5-methyl-2-phenyl-4,5-dihydro-1,3-oxazole-4-carboxylic acid

C11H11NO3 — CID 46889284

IUPAC(4S,5S)-5-methyl-2-phenyl-4,5-dihydro-1,3-oxazole-4-carboxylic acid
SMILESC[C@@H]1OC(c2ccccc2)=N[C@@H]1C(=O)O
InChIInChI=1S/C11H11NO3/c1-7-9(11(13)14)12-10(15-7)8-5-3-2-4-6-8/h2-7,9H,1H3,(H,13,14)/t7-,9-/m0/s1
InChIKeyHMISRFBNNBBPIL-CBAPKCEASA-N
MW205.21 g/mol
LogP1.31
Rot. Bonds2

About (4S,5S)-5-methyl-2-phenyl-4,5-dihydro-1,3-oxazole-4-carboxylic acid

(4S,5S)-5-methyl-2-phenyl-4,5-dihydro-1,3-oxazole-4-carboxylic acid (PubChem CID 46889284) has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is (4S,5S)-5-methyl-2-phenyl-4,5-dihydro-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name(4S,5S)-5-methyl-2-phenyl-4,5-dihydro-1,3-oxazole-4-carboxylic acid
PubChem CID46889284
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Name(4S,5S)-5-methyl-2-phenyl-4,5-dihydro-1,3-oxazole-4-carboxylic acid
SMILESC[C@@H]1OC(c2ccccc2)=N[C@@H]1C(=O)O
InChIInChI=1S/C11H11NO3/c1-7-9(11(13)14)12-10(15-7)8-5-3-2-4-6-8/h2-7,9H,1H3,(H,13,14)/t7-,9-/m0/s1
InChIKeyHMISRFBNNBBPIL-CBAPKCEASA-N
XLogP1.31
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 ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4S,5S)-5-methyl-2-phenyl-4,5-dihydro-1,3-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

Frequently Asked Questions

What is the IUPAC name of (4S,5S)-5-methyl-2-phenyl-4,5-dihydro-1,3-oxazole-4-carboxylic acid?
The IUPAC name of (4S,5S)-5-methyl-2-phenyl-4,5-dihydro-1,3-oxazole-4-carboxylic acid (CID 46889284) is (4S,5S)-5-methyl-2-phenyl-4,5-dihydro-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for (4S,5S)-5-methyl-2-phenyl-4,5-dihydro-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for (4S,5S)-5-methyl-2-phenyl-4,5-dihydro-1,3-oxazole-4-carboxylic acid is C[C@@H]1OC(c2ccccc2)=N[C@@H]1C(=O)O.
What is the InChIKey of (4S,5S)-5-methyl-2-phenyl-4,5-dihydro-1,3-oxazole-4-carboxylic acid?
The InChIKey is HMISRFBNNBBPIL-CBAPKCEASA-N. The full InChI is InChI=1S/C11H11NO3/c1-7-9(11(13)14)12-10(15-7)8-5-3-2-4-6-8/h2-7,9H,1H3,(H,13,14)/t7-,9-/m0/s1.
What are the key properties of (4S,5S)-5-methyl-2-phenyl-4,5-dihydro-1,3-oxazole-4-carboxylic acid?
(4S,5S)-5-methyl-2-phenyl-4,5-dihydro-1,3-oxazole-4-carboxylic acid has a molecular weight of 205.21 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-5-methyl-2-phenyl-4,5-dihydro-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 46889284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).