2-(4-fluoro-3-methoxyphenyl)-4-methyl-1,3-oxazole-5-carboxylic acid

C12H10FNO4 — CID 81284164

IUPAC2-(4-fluoro-3-methoxyphenyl)-4-methyl-1,3-oxazole-5-carboxylic acid
SMILESCOc1cc(-c2nc(C)c(C(=O)O)o2)ccc1F
InChIInChI=1S/C12H10FNO4/c1-6-10(12(15)16)18-11(14-6)7-3-4-8(13)9(5-7)17-2/h3-5H,1-2H3,(H,15,16)
InChIKeyAYJAJPVVSPCRSH-UHFFFAOYSA-N
MW251.21 g/mol
LogP2.50
Rot. Bonds3

About 2-(4-fluoro-3-methoxyphenyl)-4-methyl-1,3-oxazole-5-carboxylic acid

2-(4-fluoro-3-methoxyphenyl)-4-methyl-1,3-oxazole-5-carboxylic acid (PubChem CID 81284164) has the molecular formula C12H10FNO4 and a molecular weight of 251.21 g/mol. Its IUPAC name is 2-(4-fluoro-3-methoxyphenyl)-4-methyl-1,3-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(4-fluoro-3-methoxyphenyl)-4-methyl-1,3-oxazole-5-carboxylic acid
PubChem CID81284164
Molecular FormulaC12H10FNO4
Molecular Weight251.21 g/mol
Exact Mass251.06
IUPAC Name2-(4-fluoro-3-methoxyphenyl)-4-methyl-1,3-oxazole-5-carboxylic acid
SMILESCOc1cc(-c2nc(C)c(C(=O)O)o2)ccc1F
InChIInChI=1S/C12H10FNO4/c1-6-10(12(15)16)18-11(14-6)7-3-4-8(13)9(5-7)17-2/h3-5H,1-2H3,(H,15,16)
InChIKeyAYJAJPVVSPCRSH-UHFFFAOYSA-N
XLogP2.50
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.21
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(4-fluoro-3-methoxyphenyl)-4-methyl-1,3-oxazole-5-carboxylate
CID 81284241
2-(3-bromo-4-fluorophenyl)-4-methyl-1,3-oxazole-5-carboxylic acid
CID 107953395
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
2-(3-methoxy-4-methylphenyl)-1,3-oxazole-4,5-dicarboxylic acid
CID 102953889
methyl 2-(4-fluoro-3-methoxyphenyl)-4-propyl-1,3-oxazole-5-carboxylate
CID 114371293
2-(3-methoxy-4-methylphenyl)-4-propyl-1,3-oxazole-5-carboxylic acid
CID 114373410
2-(3,4-dimethoxyphenyl)-4-propyl-1,3-oxazole-5-carboxylic acid
CID 114373284
4-methyl-2-(2-methyl-4-pyridinyl)-1,3-oxazole-5-carboxylic acid
CID 118608534
(E)-3-[5-(4-fluoro-3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]prop-2-enoic acid
CID 81284351
2-chloro-4-(4-fluoro-3-methoxyphenyl)benzoic acid
CID 53226579
2-(2,4-dimethoxy-3-methylphenyl)-4-methyl-1,3-oxazole-5-carboxylic acid
CID 98020629

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-3-methoxyphenyl)-4-methyl-1,3-oxazole-5-carboxylic acid?
The IUPAC name of 2-(4-fluoro-3-methoxyphenyl)-4-methyl-1,3-oxazole-5-carboxylic acid (CID 81284164) is 2-(4-fluoro-3-methoxyphenyl)-4-methyl-1,3-oxazole-5-carboxylic acid.
What is the SMILES notation for 2-(4-fluoro-3-methoxyphenyl)-4-methyl-1,3-oxazole-5-carboxylic acid?
The canonical SMILES for 2-(4-fluoro-3-methoxyphenyl)-4-methyl-1,3-oxazole-5-carboxylic acid is COc1cc(-c2nc(C)c(C(=O)O)o2)ccc1F.
What is the InChIKey of 2-(4-fluoro-3-methoxyphenyl)-4-methyl-1,3-oxazole-5-carboxylic acid?
The InChIKey is AYJAJPVVSPCRSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FNO4/c1-6-10(12(15)16)18-11(14-6)7-3-4-8(13)9(5-7)17-2/h3-5H,1-2H3,(H,15,16).
What are the key properties of 2-(4-fluoro-3-methoxyphenyl)-4-methyl-1,3-oxazole-5-carboxylic acid?
2-(4-fluoro-3-methoxyphenyl)-4-methyl-1,3-oxazole-5-carboxylic acid has a molecular weight of 251.21 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-3-methoxyphenyl)-4-methyl-1,3-oxazole-5-carboxylic acid is sourced from PubChem (CID 81284164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).