3-[4-(4-fluoro-3-methylphenyl)-1,3-oxazol-5-yl]propanoic acid

C13H12FNO3 — CID 82131272

IUPAC3-[4-(4-fluoro-3-methylphenyl)-1,3-oxazol-5-yl]propanoic acid
SMILESCc1cc(-c2ncoc2CCC(=O)O)ccc1F
InChIInChI=1S/C13H12FNO3/c1-8-6-9(2-3-10(8)14)13-11(18-7-15-13)4-5-12(16)17/h2-3,6-7H,4-5H2,1H3,(H,16,17)
InChIKeyVRQPTTJHLUTMDL-UHFFFAOYSA-N
MW249.24 g/mol
LogP2.81
Rot. Bonds4

About 3-[4-(4-fluoro-3-methylphenyl)-1,3-oxazol-5-yl]propanoic acid

3-[4-(4-fluoro-3-methylphenyl)-1,3-oxazol-5-yl]propanoic acid (PubChem CID 82131272) has the molecular formula C13H12FNO3 and a molecular weight of 249.24 g/mol. Its IUPAC name is 3-[4-(4-fluoro-3-methylphenyl)-1,3-oxazol-5-yl]propanoic acid.

Molecular Properties

Compound Name3-[4-(4-fluoro-3-methylphenyl)-1,3-oxazol-5-yl]propanoic acid
PubChem CID82131272
Molecular FormulaC13H12FNO3
Molecular Weight249.24 g/mol
Exact Mass249.08
IUPAC Name3-[4-(4-fluoro-3-methylphenyl)-1,3-oxazol-5-yl]propanoic acid
SMILESCc1cc(-c2ncoc2CCC(=O)O)ccc1F
InChIInChI=1S/C13H12FNO3/c1-8-6-9(2-3-10(8)14)13-11(18-7-15-13)4-5-12(16)17/h2-3,6-7H,4-5H2,1H3,(H,16,17)
InChIKeyVRQPTTJHLUTMDL-UHFFFAOYSA-N
XLogP2.81
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.24
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(4-fluoro-3-methylphenyl)-1,3-oxazol-5-yl]ethanamine
CID 82127608
2-[4-(3,4-dimethylphenyl)-1,3-oxazol-5-yl]acetic acid
CID 82128624
3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoic acid
CID 16779155
4-[5-(4-fluoro-3-methylphenyl)-1,3,4-oxadiazol-2-yl]butanoic acid
CID 55162479
3-[4-(2-methoxy-5-methylphenyl)-1,3-oxazol-5-yl]propanoic acid
CID 82132984
4-(3,4-difluorophenyl)-1,3-oxazole-5-carboxylic acid
CID 82287519
4-ethyl-3-(4-fluoro-3-methylphenyl)-1,2-oxazole-5-carboxylic acid
CID 82362385
2-[4-(5-ethyl-1,3-oxazol-4-yl)phenyl]acetic acid
CID 105489126
3-[6-chloro-2-(3,4-dimethylphenyl)imidazo[1,2-a]pyridin-3-yl]propanoic acid
CID 39195760
2-[4-(4-fluoro-3-methylphenyl)-2-methyl-1,3-oxazol-5-yl]ethanamine
CID 82129199
5-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazole-3-carboxylic acid
CID 63383042
2-[4-(4-fluoro-3-methylphenyl)-2-propan-2-yl-1H-imidazol-5-yl]acetic acid
CID 95479005

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-fluoro-3-methylphenyl)-1,3-oxazol-5-yl]propanoic acid?
The IUPAC name of 3-[4-(4-fluoro-3-methylphenyl)-1,3-oxazol-5-yl]propanoic acid (CID 82131272) is 3-[4-(4-fluoro-3-methylphenyl)-1,3-oxazol-5-yl]propanoic acid.
What is the SMILES notation for 3-[4-(4-fluoro-3-methylphenyl)-1,3-oxazol-5-yl]propanoic acid?
The canonical SMILES for 3-[4-(4-fluoro-3-methylphenyl)-1,3-oxazol-5-yl]propanoic acid is Cc1cc(-c2ncoc2CCC(=O)O)ccc1F.
What is the InChIKey of 3-[4-(4-fluoro-3-methylphenyl)-1,3-oxazol-5-yl]propanoic acid?
The InChIKey is VRQPTTJHLUTMDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNO3/c1-8-6-9(2-3-10(8)14)13-11(18-7-15-13)4-5-12(16)17/h2-3,6-7H,4-5H2,1H3,(H,16,17).
What are the key properties of 3-[4-(4-fluoro-3-methylphenyl)-1,3-oxazol-5-yl]propanoic acid?
3-[4-(4-fluoro-3-methylphenyl)-1,3-oxazol-5-yl]propanoic acid has a molecular weight of 249.24 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-fluoro-3-methylphenyl)-1,3-oxazol-5-yl]propanoic acid is sourced from PubChem (CID 82131272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).