3-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]propanoic acid

C13H12FNO3 — CID 82131267

IUPAC3-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]propanoic acid
SMILESCc1oc(-c2ccc(F)cc2)nc1CCC(=O)O
InChIInChI=1S/C13H12FNO3/c1-8-11(6-7-12(16)17)15-13(18-8)9-2-4-10(14)5-3-9/h2-5H,6-7H2,1H3,(H,16,17)
InChIKeySMGNEGMKHAHZRE-UHFFFAOYSA-N
MW249.24 g/mol
LogP2.81
Rot. Bonds4

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

3-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]propanoic acid (PubChem CID 82131267) has the molecular formula C13H12FNO3 and a molecular weight of 249.24 g/mol. Its IUPAC name is 3-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]propanoic acid.

Molecular Properties

Compound Name3-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]propanoic acid
PubChem CID82131267
Molecular FormulaC13H12FNO3
Molecular Weight249.24 g/mol
Exact Mass249.08
IUPAC Name3-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]propanoic acid
SMILESCc1oc(-c2ccc(F)cc2)nc1CCC(=O)O
InChIInChI=1S/C13H12FNO3/c1-8-11(6-7-12(16)17)15-13(18-8)9-2-4-10(14)5-3-9/h2-5H,6-7H2,1H3,(H,16,17)
InChIKeySMGNEGMKHAHZRE-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-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-methoxyacetamide
CID 110611766
N-[2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]-3-phenoxypropanamide
CID 110641138
3-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]propanoic acid
CID 82127717
3-fluoro-N-[2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]benzamide
CID 110415131
N-(2,6-difluorophenyl)-3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propanamide
CID 110651429
2-[(4-fluorophenyl)methylamino]-3-[4-[2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]phenyl]propanoic acid
CID 22337545
3-[2-methyl-4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]propanoic acid
CID 58979220
N-(4-methylphenyl)-3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propanamide
CID 110649606
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 4-fluorobenzoate
CID 16588676
3-[3-(4-fluorophenyl)-1-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]pyrazol-4-yl]propanoic acid
CID 69422622
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-(4-fluorophenyl)acetate
CID 16588798
N-(2-cyanopropan-2-yl)-2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]acetamide
CID 110406185

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]propanoic acid?
The IUPAC name of 3-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]propanoic acid (CID 82131267) is 3-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]propanoic acid.
What is the SMILES notation for 3-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]propanoic acid?
The canonical SMILES for 3-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]propanoic acid is Cc1oc(-c2ccc(F)cc2)nc1CCC(=O)O.
What is the InChIKey of 3-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]propanoic acid?
The InChIKey is SMGNEGMKHAHZRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNO3/c1-8-11(6-7-12(16)17)15-13(18-8)9-2-4-10(14)5-3-9/h2-5H,6-7H2,1H3,(H,16,17).
What are the key properties of 3-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]propanoic acid?
3-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-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-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]propanoic acid is sourced from PubChem (CID 82131267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).