5-(1-hydroxyethyl)-3-phenyl-1,2-oxazole-4-carboxylic acid

C12H11NO4 — CID 162957038

IUPAC5-(1-hydroxyethyl)-3-phenyl-1,2-oxazole-4-carboxylic acid
SMILESCC(O)c1onc(-c2ccccc2)c1C(=O)O
InChIInChI=1S/C12H11NO4/c1-7(14)11-9(12(15)16)10(13-17-11)8-5-3-2-4-6-8/h2-7,14H,1H3,(H,15,16)
InChIKeyQTSUEJKYNHAMDW-UHFFFAOYSA-N
MW233.22 g/mol
LogP2.09
Rot. Bonds3

About 5-(1-hydroxyethyl)-3-phenyl-1,2-oxazole-4-carboxylic acid

5-(1-hydroxyethyl)-3-phenyl-1,2-oxazole-4-carboxylic acid (PubChem CID 162957038) has the molecular formula C12H11NO4 and a molecular weight of 233.22 g/mol. Its IUPAC name is 5-(1-hydroxyethyl)-3-phenyl-1,2-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(1-hydroxyethyl)-3-phenyl-1,2-oxazole-4-carboxylic acid
PubChem CID162957038
Molecular FormulaC12H11NO4
Molecular Weight233.22 g/mol
Exact Mass233.07
IUPAC Name5-(1-hydroxyethyl)-3-phenyl-1,2-oxazole-4-carboxylic acid
SMILESCC(O)c1onc(-c2ccccc2)c1C(=O)O
InChIInChI=1S/C12H11NO4/c1-7(14)11-9(12(15)16)10(13-17-11)8-5-3-2-4-6-8/h2-7,14H,1H3,(H,15,16)
InChIKeyQTSUEJKYNHAMDW-UHFFFAOYSA-N
XLogP2.09
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.22
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-fluorophenyl)-5-[(1S)-1-hydroxyethyl]-1,2-oxazole-4-carboxylic acid
CID 124878175
[5-[(1S)-1-hydroxyethyl]-3-phenyl-1,2-oxazol-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 100632764
5-[(1S)-1-hydroxyethyl]-N-methyl-3-phenyl-N-propyl-1,2-oxazole-4-carboxamide
CID 100632561
3-phenyl-5-propan-2-yl-1,2-oxazole-4-carbonyl chloride
CID 21317239
[4-(4-fluorophenyl)piperazin-1-yl]-[5-(1-hydroxyethyl)-3-phenyl-1,2-oxazol-4-yl]methanone
CID 162800213
N-[1-[5-(1-hydroxyethyl)-3-phenyl-1,2-oxazole-4-carbonyl]pyrrolidin-3-yl]acetamide
CID 162822751
[3-(4-chlorophenyl)-5-(1-hydroxyethyl)-1,2-oxazol-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 162793272
3-(4-chlorophenyl)-5-[(1S)-1-hydroxyethyl]-N-[(1R)-1-phenylethyl]-1,2-oxazole-4-carboxamide
CID 124875243
5-[(1R)-1-(benzylamino)ethyl]-3-(4-fluorophenyl)-1,2-oxazole-4-carboxylic acid
CID 75368401
[5-[(1S)-1-hydroxyethyl]-3-pyridin-3-yl-1,2-oxazol-4-yl]-pyrrolidin-1-ylmethanone
CID 124878355
5-[1-(benzylamino)ethyl]-3-(4-fluorophenyl)-1,2-oxazole-4-carboxylic acid
CID 162798444
3-(4-fluorophenyl)-5-[(1S)-1-hydroxyethyl]-N-propan-2-yl-1,2-oxazole-4-carboxamide
CID 100631385

Frequently Asked Questions

What is the IUPAC name of 5-(1-hydroxyethyl)-3-phenyl-1,2-oxazole-4-carboxylic acid?
The IUPAC name of 5-(1-hydroxyethyl)-3-phenyl-1,2-oxazole-4-carboxylic acid (CID 162957038) is 5-(1-hydroxyethyl)-3-phenyl-1,2-oxazole-4-carboxylic acid.
What is the SMILES notation for 5-(1-hydroxyethyl)-3-phenyl-1,2-oxazole-4-carboxylic acid?
The canonical SMILES for 5-(1-hydroxyethyl)-3-phenyl-1,2-oxazole-4-carboxylic acid is CC(O)c1onc(-c2ccccc2)c1C(=O)O.
What is the InChIKey of 5-(1-hydroxyethyl)-3-phenyl-1,2-oxazole-4-carboxylic acid?
The InChIKey is QTSUEJKYNHAMDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO4/c1-7(14)11-9(12(15)16)10(13-17-11)8-5-3-2-4-6-8/h2-7,14H,1H3,(H,15,16).
What are the key properties of 5-(1-hydroxyethyl)-3-phenyl-1,2-oxazole-4-carboxylic acid?
5-(1-hydroxyethyl)-3-phenyl-1,2-oxazole-4-carboxylic acid has a molecular weight of 233.22 g/mol, XLogP of 2.09, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-hydroxyethyl)-3-phenyl-1,2-oxazole-4-carboxylic acid is sourced from PubChem (CID 162957038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).