3-[3-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]propanoic acid

C12H13NO4 — CID 136671941

IUPAC3-[3-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]propanoic acid
SMILESO=C(O)CCC1CC(c2ccccc2O)=NO1
InChIInChI=1S/C12H13NO4/c14-11-4-2-1-3-9(11)10-7-8(17-13-10)5-6-12(15)16/h1-4,8,14H,5-7H2,(H,15,16)
InChIKeyXNOHTLGKCKVADA-UHFFFAOYSA-N
MW235.24 g/mol
LogP1.75
Rot. Bonds4

About 3-[3-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]propanoic acid

3-[3-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]propanoic acid (PubChem CID 136671941) has the molecular formula C12H13NO4 and a molecular weight of 235.24 g/mol. Its IUPAC name is 3-[3-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]propanoic acid.

Molecular Properties

Compound Name3-[3-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]propanoic acid
PubChem CID136671941
Molecular FormulaC12H13NO4
Molecular Weight235.24 g/mol
Exact Mass235.08
IUPAC Name3-[3-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]propanoic acid
SMILESO=C(O)CCC1CC(c2ccccc2O)=NO1
InChIInChI=1S/C12H13NO4/c14-11-4-2-1-3-9(11)10-7-8(17-13-10)5-6-12(15)16/h1-4,8,14H,5-7H2,(H,15,16)
InChIKeyXNOHTLGKCKVADA-UHFFFAOYSA-N
XLogP1.75
TPSA79.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[3-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]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

2-[3-(2-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethanamine
CID 105456450
2-(5-methoxy-4,5-dihydro-1,2-oxazol-3-yl)phenol
CID 137216130
[bis[3-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]amino] acetate
CID 136631971
2-[2-[5-(acetyloxymethyl)-4,5-dihydro-1,2-oxazol-3-yl]phenoxy]acetic acid
CID 15440092
(5S)-5-benzyl-3-naphthalen-1-yl-4,5-dihydro-1,2-oxazole
CID 71561575
(5S)-N-[(2S)-butan-2-yl]-3-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 135829531
[3-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-(4-methylpiperazin-1-yl)methanone
CID 135881511
2-(5-ethyl-4,5-dihydro-1,2-oxazol-3-yl)benzene-1,4-diol
CID 136652954
5-benzyl-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole
CID 59544919
(5R)-3-(2-hydroxyphenyl)-N-(thiophen-2-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 1302303
(5R)-N-(furan-2-ylmethyl)-3-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 1302290
(5R)-N-(2-hydroxy-5-methylphenyl)-3-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 135829493

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]propanoic acid?
The IUPAC name of 3-[3-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]propanoic acid (CID 136671941) is 3-[3-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]propanoic acid.
What is the SMILES notation for 3-[3-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]propanoic acid?
The canonical SMILES for 3-[3-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]propanoic acid is O=C(O)CCC1CC(c2ccccc2O)=NO1.
What is the InChIKey of 3-[3-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]propanoic acid?
The InChIKey is XNOHTLGKCKVADA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO4/c14-11-4-2-1-3-9(11)10-7-8(17-13-10)5-6-12(15)16/h1-4,8,14H,5-7H2,(H,15,16).
What are the key properties of 3-[3-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]propanoic acid?
3-[3-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]propanoic acid has a molecular weight of 235.24 g/mol, XLogP of 1.75, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]propanoic acid is sourced from PubChem (CID 136671941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).