4-[4-(2-hydroxyethyl)-1,2-oxazol-3-yl]benzoic acid

C12H11NO4 — CID 10014196

IUPAC4-[4-(2-hydroxyethyl)-1,2-oxazol-3-yl]benzoic acid
SMILESO=C(O)c1ccc(-c2nocc2CCO)cc1
InChIInChI=1S/C12H11NO4/c14-6-5-10-7-17-13-11(10)8-1-3-9(4-2-8)12(15)16/h1-4,7,14H,5-6H2,(H,15,16)
InChIKeyVSBLUKJWRBUBSF-UHFFFAOYSA-N
MW233.22 g/mol
LogP1.57
Rot. Bonds4

About 4-[4-(2-hydroxyethyl)-1,2-oxazol-3-yl]benzoic acid

4-[4-(2-hydroxyethyl)-1,2-oxazol-3-yl]benzoic acid (PubChem CID 10014196) has the molecular formula C12H11NO4 and a molecular weight of 233.22 g/mol. Its IUPAC name is 4-[4-(2-hydroxyethyl)-1,2-oxazol-3-yl]benzoic acid.

Molecular Properties

Compound Name4-[4-(2-hydroxyethyl)-1,2-oxazol-3-yl]benzoic acid
PubChem CID10014196
Molecular FormulaC12H11NO4
Molecular Weight233.22 g/mol
Exact Mass233.07
IUPAC Name4-[4-(2-hydroxyethyl)-1,2-oxazol-3-yl]benzoic acid
SMILESO=C(O)c1ccc(-c2nocc2CCO)cc1
InChIInChI=1S/C12H11NO4/c14-6-5-10-7-17-13-11(10)8-1-3-9(4-2-8)12(15)16/h1-4,7,14H,5-6H2,(H,15,16)
InChIKeyVSBLUKJWRBUBSF-UHFFFAOYSA-N
XLogP1.57
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.22
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(4-butylphenyl)-1,2-oxazol-3-yl]benzoic acid
CID 67379228
4-[2-(2-hydroxyethyl)phenyl]benzoic acid
CID 175206383
3-(3-phenyl-1,2-oxazol-4-yl)-1-pyrrolidin-1-ylpropan-1-one
CID 71839862
4-(2-hydroxyethyl)benzoic acid
CID 506062
4-butyl-3-phenyl-1,2-oxazole
CID 20616768
N-[(4-methylphenyl)methyl]-3-[3-(4-methylphenyl)-1,2-oxazol-4-yl]propanamide
CID 71839834
4-(fluoromethyl)-3-phenyl-1,2-oxazole
CID 141159129
methyl 3-[3-(3,4-dichlorophenyl)-1,2-oxazol-4-yl]propanoate
CID 22221152
terephthalic acid
CID 160582437
3-(4-fluorophenyl)-4-(2-piperidin-1-ylethyl)-1,2-oxazole
CID 75204034
ethane-1,2-diol;octane-1,8-diol;terephthalic acid
CID 67530978
2-[3-(3-bromophenyl)-1,2-oxazol-4-yl]acetic acid
CID 82307329

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-hydroxyethyl)-1,2-oxazol-3-yl]benzoic acid?
The IUPAC name of 4-[4-(2-hydroxyethyl)-1,2-oxazol-3-yl]benzoic acid (CID 10014196) is 4-[4-(2-hydroxyethyl)-1,2-oxazol-3-yl]benzoic acid.
What is the SMILES notation for 4-[4-(2-hydroxyethyl)-1,2-oxazol-3-yl]benzoic acid?
The canonical SMILES for 4-[4-(2-hydroxyethyl)-1,2-oxazol-3-yl]benzoic acid is O=C(O)c1ccc(-c2nocc2CCO)cc1.
What is the InChIKey of 4-[4-(2-hydroxyethyl)-1,2-oxazol-3-yl]benzoic acid?
The InChIKey is VSBLUKJWRBUBSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO4/c14-6-5-10-7-17-13-11(10)8-1-3-9(4-2-8)12(15)16/h1-4,7,14H,5-6H2,(H,15,16).
What are the key properties of 4-[4-(2-hydroxyethyl)-1,2-oxazol-3-yl]benzoic acid?
4-[4-(2-hydroxyethyl)-1,2-oxazol-3-yl]benzoic acid has a molecular weight of 233.22 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-hydroxyethyl)-1,2-oxazol-3-yl]benzoic acid is sourced from PubChem (CID 10014196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).