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

C13H12FNO4 — CID 82304034

IUPAC2-[5-(3-fluoro-4-methoxyphenyl)-3-methyl-1,2-oxazol-4-yl]acetic acid
SMILESCOc1ccc(-c2onc(C)c2CC(=O)O)cc1F
InChIInChI=1S/C13H12FNO4/c1-7-9(6-12(16)17)13(19-15-7)8-3-4-11(18-2)10(14)5-8/h3-5H,6H2,1-2H3,(H,16,17)
InChIKeyGUHQSKUCDMNFCW-UHFFFAOYSA-N
MW265.24 g/mol
LogP2.42
Rot. Bonds4

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

2-[5-(3-fluoro-4-methoxyphenyl)-3-methyl-1,2-oxazol-4-yl]acetic acid (PubChem CID 82304034) has the molecular formula C13H12FNO4 and a molecular weight of 265.24 g/mol. Its IUPAC name is 2-[5-(3-fluoro-4-methoxyphenyl)-3-methyl-1,2-oxazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[5-(3-fluoro-4-methoxyphenyl)-3-methyl-1,2-oxazol-4-yl]acetic acid
PubChem CID82304034
Molecular FormulaC13H12FNO4
Molecular Weight265.24 g/mol
Exact Mass265.08
IUPAC Name2-[5-(3-fluoro-4-methoxyphenyl)-3-methyl-1,2-oxazol-4-yl]acetic acid
SMILESCOc1ccc(-c2onc(C)c2CC(=O)O)cc1F
InChIInChI=1S/C13H12FNO4/c1-7-9(6-12(16)17)13(19-15-7)8-3-4-11(18-2)10(14)5-8/h3-5H,6H2,1-2H3,(H,16,17)
InChIKeyGUHQSKUCDMNFCW-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-[5-(1,3-benzodioxol-5-yl)-3-methyl-1,2-oxazol-4-yl]acetic acid
CID 82302087
2-[4-(3-fluoro-4-methoxyphenyl)-2-methyl-1,3-oxazol-5-yl]acetic acid
CID 82133676
5-(4-ethoxy-3-fluorophenyl)-3-methyl-1,2-oxazole-4-carboxylic acid
CID 82486561
2-[2-(3-fluoro-4-methoxyphenyl)-6,7-dimethyl-1H-indol-3-yl]acetic acid
CID 3963041
3-[5-(4-methoxyphenyl)-3-methyl-1,2-oxazol-4-yl]propanoic acid
CID 82302127
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]acetamide
CID 18200881
1-(2-fluoro-4-methoxyphenyl)ethyl 2-[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]acetate
CID 58539372
5-(3,4-difluorophenyl)-3-methyl-1,2-oxazole-4-carboxylic acid
CID 82477044
5-amino-4-(3-fluoro-4-methoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 82087875
2-[4-[2-(3-fluoro-4-methoxyphenyl)-4-methylpyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetic acid
CID 133081639
2-[1-[4-[4-[2-[(1R)-1-cyclopropylethoxy]-2-oxoethyl]-3-methyl-1,2-oxazol-5-yl]-2-fluorophenyl]-2-oxabicyclo[2.2.2]octan-4-yl]acetic acid
CID 159170554
N-[3-ethyl-5-(3-fluoro-4-methoxyphenyl)-1,2-oxazol-4-yl]benzenesulfonamide
CID 67594962

Frequently Asked Questions

What is the IUPAC name of 2-[5-(3-fluoro-4-methoxyphenyl)-3-methyl-1,2-oxazol-4-yl]acetic acid?
The IUPAC name of 2-[5-(3-fluoro-4-methoxyphenyl)-3-methyl-1,2-oxazol-4-yl]acetic acid (CID 82304034) is 2-[5-(3-fluoro-4-methoxyphenyl)-3-methyl-1,2-oxazol-4-yl]acetic acid.
What is the SMILES notation for 2-[5-(3-fluoro-4-methoxyphenyl)-3-methyl-1,2-oxazol-4-yl]acetic acid?
The canonical SMILES for 2-[5-(3-fluoro-4-methoxyphenyl)-3-methyl-1,2-oxazol-4-yl]acetic acid is COc1ccc(-c2onc(C)c2CC(=O)O)cc1F.
What is the InChIKey of 2-[5-(3-fluoro-4-methoxyphenyl)-3-methyl-1,2-oxazol-4-yl]acetic acid?
The InChIKey is GUHQSKUCDMNFCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNO4/c1-7-9(6-12(16)17)13(19-15-7)8-3-4-11(18-2)10(14)5-8/h3-5H,6H2,1-2H3,(H,16,17).
What are the key properties of 2-[5-(3-fluoro-4-methoxyphenyl)-3-methyl-1,2-oxazol-4-yl]acetic acid?
2-[5-(3-fluoro-4-methoxyphenyl)-3-methyl-1,2-oxazol-4-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-[5-(3-fluoro-4-methoxyphenyl)-3-methyl-1,2-oxazol-4-yl]acetic acid is sourced from PubChem (CID 82304034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).