2-[4-(3-fluoro-4-methoxyphenyl)-2-methyl-1,3-oxazol-5-yl]acetic acid

C13H12FNO4 — CID 82133676

IUPAC2-[4-(3-fluoro-4-methoxyphenyl)-2-methyl-1,3-oxazol-5-yl]acetic acid
SMILESCOc1ccc(-c2nc(C)oc2CC(=O)O)cc1F
InChIInChI=1S/C13H12FNO4/c1-7-15-13(11(19-7)6-12(16)17)8-3-4-10(18-2)9(14)5-8/h3-5H,6H2,1-2H3,(H,16,17)
InChIKeyFRYYETOWZXSNHT-UHFFFAOYSA-N
MW265.24 g/mol
LogP2.42
Rot. Bonds4

About 2-[4-(3-fluoro-4-methoxyphenyl)-2-methyl-1,3-oxazol-5-yl]acetic acid

2-[4-(3-fluoro-4-methoxyphenyl)-2-methyl-1,3-oxazol-5-yl]acetic acid (PubChem CID 82133676) has the molecular formula C13H12FNO4 and a molecular weight of 265.24 g/mol. Its IUPAC name is 2-[4-(3-fluoro-4-methoxyphenyl)-2-methyl-1,3-oxazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(3-fluoro-4-methoxyphenyl)-2-methyl-1,3-oxazol-5-yl]acetic acid
PubChem CID82133676
Molecular FormulaC13H12FNO4
Molecular Weight265.24 g/mol
Exact Mass265.08
IUPAC Name2-[4-(3-fluoro-4-methoxyphenyl)-2-methyl-1,3-oxazol-5-yl]acetic acid
SMILESCOc1ccc(-c2nc(C)oc2CC(=O)O)cc1F
InChIInChI=1S/C13H12FNO4/c1-7-15-13(11(19-7)6-12(16)17)8-3-4-10(18-2)9(14)5-8/h3-5H,6H2,1-2H3,(H,16,17)
InChIKeyFRYYETOWZXSNHT-UHFFFAOYSA-N
XLogP2.42
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.24
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(4-methoxy-3-methylphenyl)-2-methyl-1,3-oxazol-5-yl]acetic acid
CID 82132981
2-[5-(3-fluoro-4-methoxyphenyl)-3-methyl-1,2-oxazol-4-yl]acetic acid
CID 82304034
2-[4-(3-chloro-4-methoxyphenyl)-2-methyl-1,3-oxazol-5-yl]ethanamine
CID 82133922
2-(3-fluoro-4-methoxyphenyl)-1,3-oxazole-4,5-dicarboxylic acid
CID 102953955
4-(difluoromethyl)-2-(3-fluoro-4-methoxyphenyl)-1,3-oxazole-5-carboxylic acid
CID 103198823
ethyl 2-[4-(4-fluorophenyl)-2-methyl-1,3-oxazol-5-yl]acetate
CID 102588150
(E)-3-[4-(3-fluoro-4-methoxyphenyl)-2-methyl-1,3-thiazol-5-yl]but-2-enoic acid
CID 110447088
1,2-difluoro-4-(3-fluoro-4-methoxyphenyl)benzene
CID 18930756
2-(3-fluoro-4-methoxyphenyl)-4-propan-2-yl-1,3-thiazole-5-carboxylic acid
CID 98032866
2-[4-[2-(3-fluoro-4-methoxyphenyl)-4-methylpyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetic acid
CID 133081639
3,4-dimethoxy-N-[2-(2-methyl-4-phenyl-1,3-oxazol-5-yl)ethyl]benzamide
CID 110671401
4-(3-fluoro-4-methoxyphenyl)-2-methoxybenzoic acid
CID 53226547

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-fluoro-4-methoxyphenyl)-2-methyl-1,3-oxazol-5-yl]acetic acid?
The IUPAC name of 2-[4-(3-fluoro-4-methoxyphenyl)-2-methyl-1,3-oxazol-5-yl]acetic acid (CID 82133676) is 2-[4-(3-fluoro-4-methoxyphenyl)-2-methyl-1,3-oxazol-5-yl]acetic acid.
What is the SMILES notation for 2-[4-(3-fluoro-4-methoxyphenyl)-2-methyl-1,3-oxazol-5-yl]acetic acid?
The canonical SMILES for 2-[4-(3-fluoro-4-methoxyphenyl)-2-methyl-1,3-oxazol-5-yl]acetic acid is COc1ccc(-c2nc(C)oc2CC(=O)O)cc1F.
What is the InChIKey of 2-[4-(3-fluoro-4-methoxyphenyl)-2-methyl-1,3-oxazol-5-yl]acetic acid?
The InChIKey is FRYYETOWZXSNHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNO4/c1-7-15-13(11(19-7)6-12(16)17)8-3-4-10(18-2)9(14)5-8/h3-5H,6H2,1-2H3,(H,16,17).
What are the key properties of 2-[4-(3-fluoro-4-methoxyphenyl)-2-methyl-1,3-oxazol-5-yl]acetic acid?
2-[4-(3-fluoro-4-methoxyphenyl)-2-methyl-1,3-oxazol-5-yl]acetic acid has a molecular weight of 265.24 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-fluoro-4-methoxyphenyl)-2-methyl-1,3-oxazol-5-yl]acetic acid is sourced from PubChem (CID 82133676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).