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

C12H10FNO3 — CID 82476085

IUPAC4-(4-fluoro-3-methylphenyl)-5-methyl-1,2-oxazole-3-carboxylic acid
SMILESCc1cc(-c2c(C(=O)O)noc2C)ccc1F
InChIInChI=1S/C12H10FNO3/c1-6-5-8(3-4-9(6)13)10-7(2)17-14-11(10)12(15)16/h3-5H,1-2H3,(H,15,16)
InChIKeyOWBAIOMTKFXFGK-UHFFFAOYSA-N
MW235.21 g/mol
LogP2.80
Rot. Bonds2

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

4-(4-fluoro-3-methylphenyl)-5-methyl-1,2-oxazole-3-carboxylic acid (PubChem CID 82476085) has the molecular formula C12H10FNO3 and a molecular weight of 235.21 g/mol. Its IUPAC name is 4-(4-fluoro-3-methylphenyl)-5-methyl-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name4-(4-fluoro-3-methylphenyl)-5-methyl-1,2-oxazole-3-carboxylic acid
PubChem CID82476085
Molecular FormulaC12H10FNO3
Molecular Weight235.21 g/mol
Exact Mass235.06
IUPAC Name4-(4-fluoro-3-methylphenyl)-5-methyl-1,2-oxazole-3-carboxylic acid
SMILESCc1cc(-c2c(C(=O)O)noc2C)ccc1F
InChIInChI=1S/C12H10FNO3/c1-6-5-8(3-4-9(6)13)10-7(2)17-14-11(10)12(15)16/h3-5H,1-2H3,(H,15,16)
InChIKeyOWBAIOMTKFXFGK-UHFFFAOYSA-N
XLogP2.80
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.21
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-ethoxy-3-fluorophenyl)-5-methyl-1,2-oxazole-3-carboxylic acid
CID 82486560
5-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazole-3-carboxylic acid
CID 63383042
4-ethyl-3-(4-fluoro-3-methylphenyl)-1,2-oxazole-5-carboxylic acid
CID 82362385
4-(3,4-difluorophenyl)-3,5-dimethyl-1,2-oxazole
CID 90732795
5-amino-4-(3-fluoro-4-methoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 82087875
[3-(4-fluoro-3-methylphenyl)-5-methyl-1,2-oxazol-4-yl]methanamine
CID 82371436
[4-(3,5-dimethyl-1,2-oxazol-4-yl)-2-fluorophenyl]boronic acid
CID 140959618
3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoic acid
CID 16779155
5-chloro-3-(4-fluoro-3-methylphenyl)-1H-pyrazole-4-carboxylic acid
CID 82298915
4-(4-fluorophenyl)-5-methoxy-1,2-oxazole-3-carboxylic acid
CID 105498756
6-(4-fluoro-3-methylphenyl)pyridine-3-carboxylic acid
CID 52984088
5-(4-fluoro-3-methylphenyl)-1H-imidazole-2-carboxylic acid
CID 82079702

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoro-3-methylphenyl)-5-methyl-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 4-(4-fluoro-3-methylphenyl)-5-methyl-1,2-oxazole-3-carboxylic acid (CID 82476085) is 4-(4-fluoro-3-methylphenyl)-5-methyl-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 4-(4-fluoro-3-methylphenyl)-5-methyl-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 4-(4-fluoro-3-methylphenyl)-5-methyl-1,2-oxazole-3-carboxylic acid is Cc1cc(-c2c(C(=O)O)noc2C)ccc1F.
What is the InChIKey of 4-(4-fluoro-3-methylphenyl)-5-methyl-1,2-oxazole-3-carboxylic acid?
The InChIKey is OWBAIOMTKFXFGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FNO3/c1-6-5-8(3-4-9(6)13)10-7(2)17-14-11(10)12(15)16/h3-5H,1-2H3,(H,15,16).
What are the key properties of 4-(4-fluoro-3-methylphenyl)-5-methyl-1,2-oxazole-3-carboxylic acid?
4-(4-fluoro-3-methylphenyl)-5-methyl-1,2-oxazole-3-carboxylic acid has a molecular weight of 235.21 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoro-3-methylphenyl)-5-methyl-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 82476085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).