3-[(3-hydroxyphenyl)methyl]-1,2-oxazole-5-carboxylic acid

C11H9NO4 — CID 96609565

IUPAC3-[(3-hydroxyphenyl)methyl]-1,2-oxazole-5-carboxylic acid
SMILESO=C(O)c1cc(Cc2cccc(O)c2)no1
InChIInChI=1S/C11H9NO4/c13-9-3-1-2-7(5-9)4-8-6-10(11(14)15)16-12-8/h1-3,5-6,13H,4H2,(H,14,15)
InChIKeySFBGXZMUEVLXIK-UHFFFAOYSA-N
MW219.20 g/mol
LogP1.67
Rot. Bonds3

About 3-[(3-hydroxyphenyl)methyl]-1,2-oxazole-5-carboxylic acid

3-[(3-hydroxyphenyl)methyl]-1,2-oxazole-5-carboxylic acid (PubChem CID 96609565) has the molecular formula C11H9NO4 and a molecular weight of 219.20 g/mol. Its IUPAC name is 3-[(3-hydroxyphenyl)methyl]-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name3-[(3-hydroxyphenyl)methyl]-1,2-oxazole-5-carboxylic acid
PubChem CID96609565
Molecular FormulaC11H9NO4
Molecular Weight219.20 g/mol
Exact Mass219.05
IUPAC Name3-[(3-hydroxyphenyl)methyl]-1,2-oxazole-5-carboxylic acid
SMILESO=C(O)c1cc(Cc2cccc(O)c2)no1
InChIInChI=1S/C11H9NO4/c13-9-3-1-2-7(5-9)4-8-6-10(11(14)15)16-12-8/h1-3,5-6,13H,4H2,(H,14,15)
InChIKeySFBGXZMUEVLXIK-UHFFFAOYSA-N
XLogP1.67
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.20
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-fluorophenyl)methyl]-1,2-oxazole-5-carboxylic acid
CID 96607582
3-(pyridin-2-ylmethyl)-1,2-oxazole-5-carboxylic acid
CID 96618745
3-[(2-methylphenyl)methyl]-1,2-oxazole-5-carboxylic acid
CID 96610767
3-(phenylmethoxycarbonylaminomethyl)-1,2-oxazole-5-carboxylic acid
CID 167722476
5-[(3-hydroxyphenyl)methyl]-1H-pyrazole-3-carboxylic acid
CID 115093007
2-[(3-hydroxyphenyl)methyl]-6-(methylcarbamoyl)pyridine-4-carboxylic acid
CID 131988896
1-[5-[(3-hydroxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-one
CID 115078829
3-[[(3R,4S)-4-[2-(3-hydroxyanilino)-2-oxoethyl]piperidin-3-yl]methyl]-1,2-oxazole-5-carboxylic acid
CID 26742586
2-[2-[(3-hydroxyphenyl)methyl]-4,6-dimethylpyrimidin-5-yl]acetic acid
CID 115070018
3-(acetamidomethyl)-1,2-oxazole-5-carboxylic acid
CID 167721826
5-(3-hydroxyphenoxy)carbonyl-1,2-oxazole-3-carboxylic acid
CID 117218109
3-[(5-chloropyridazin-3-yl)methyl]phenol
CID 117106583

Frequently Asked Questions

What is the IUPAC name of 3-[(3-hydroxyphenyl)methyl]-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 3-[(3-hydroxyphenyl)methyl]-1,2-oxazole-5-carboxylic acid (CID 96609565) is 3-[(3-hydroxyphenyl)methyl]-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 3-[(3-hydroxyphenyl)methyl]-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 3-[(3-hydroxyphenyl)methyl]-1,2-oxazole-5-carboxylic acid is O=C(O)c1cc(Cc2cccc(O)c2)no1.
What is the InChIKey of 3-[(3-hydroxyphenyl)methyl]-1,2-oxazole-5-carboxylic acid?
The InChIKey is SFBGXZMUEVLXIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO4/c13-9-3-1-2-7(5-9)4-8-6-10(11(14)15)16-12-8/h1-3,5-6,13H,4H2,(H,14,15).
What are the key properties of 3-[(3-hydroxyphenyl)methyl]-1,2-oxazole-5-carboxylic acid?
3-[(3-hydroxyphenyl)methyl]-1,2-oxazole-5-carboxylic acid has a molecular weight of 219.20 g/mol, XLogP of 1.67, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-hydroxyphenyl)methyl]-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 96609565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).