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

C11H8FNO3 — CID 117315177

IUPAC5-(3-fluoro-2-methylphenyl)-1,2-oxazole-3-carboxylic acid
SMILESCc1c(F)cccc1-c1cc(C(=O)O)no1
InChIInChI=1S/C11H8FNO3/c1-6-7(3-2-4-8(6)12)10-5-9(11(14)15)13-16-10/h2-5H,1H3,(H,14,15)
InChIKeyYORBXKUAKBNKCK-UHFFFAOYSA-N
MW221.19 g/mol
LogP2.49
Rot. Bonds2

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

5-(3-fluoro-2-methylphenyl)-1,2-oxazole-3-carboxylic acid (PubChem CID 117315177) has the molecular formula C11H8FNO3 and a molecular weight of 221.19 g/mol. Its IUPAC name is 5-(3-fluoro-2-methylphenyl)-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(3-fluoro-2-methylphenyl)-1,2-oxazole-3-carboxylic acid
PubChem CID117315177
Molecular FormulaC11H8FNO3
Molecular Weight221.19 g/mol
Exact Mass221.05
IUPAC Name5-(3-fluoro-2-methylphenyl)-1,2-oxazole-3-carboxylic acid
SMILESCc1c(F)cccc1-c1cc(C(=O)O)no1
InChIInChI=1S/C11H8FNO3/c1-6-7(3-2-4-8(6)12)10-5-9(11(14)15)13-16-10/h2-5H,1H3,(H,14,15)
InChIKeyYORBXKUAKBNKCK-UHFFFAOYSA-N
XLogP2.49
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.19
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2,3-difluoro-5-methylphenyl)-1,2-oxazole-3-carboxylic acid
CID 117349990
5-(3-hydroxy-2,4-dimethylphenyl)-1,2-oxazole-3-carboxylic acid
CID 117337523
2-methyl-3-(3-methyl-1,2-oxazol-5-yl)benzoic acid
CID 140993965
5-(3-methyl-1,2-benzoxazol-7-yl)-1,2-oxazole-3-carboxylic acid
CID 117361908
5-(2,3,4-trifluorophenyl)-1,2-oxazole-3-carboxylic acid
CID 83810758
5-(2,6-difluoro-3-methylphenyl)-1,2-oxazole-3-carboxylic acid
CID 117350000
5-(4,5-dihydroxy-2,3-dimethylphenyl)-1,2-oxazole-3-carboxylic acid
CID 136998049
5-[2-(1-fluoroethyl)phenyl]-1,2-oxazole-3-carboxylic acid
CID 117341655
5-(2-chloro-3-fluoro-4-methylphenyl)-1,2-oxazole-3-carboxylic acid
CID 117391990
5-(3-fluoro-6-methoxy-2-methylphenyl)-1,2-oxazole-3-carboxylic acid
CID 117380434
5-(2-hydroxy-3,4-dimethylphenyl)-1,2-oxazole-3-carboxylic acid
CID 137007313
5-(3-fluoro-4-pyridinyl)-1,2-oxazole-3-carboxylic acid
CID 131555755

Frequently Asked Questions

What is the IUPAC name of 5-(3-fluoro-2-methylphenyl)-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-(3-fluoro-2-methylphenyl)-1,2-oxazole-3-carboxylic acid (CID 117315177) is 5-(3-fluoro-2-methylphenyl)-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-(3-fluoro-2-methylphenyl)-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-(3-fluoro-2-methylphenyl)-1,2-oxazole-3-carboxylic acid is Cc1c(F)cccc1-c1cc(C(=O)O)no1.
What is the InChIKey of 5-(3-fluoro-2-methylphenyl)-1,2-oxazole-3-carboxylic acid?
The InChIKey is YORBXKUAKBNKCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FNO3/c1-6-7(3-2-4-8(6)12)10-5-9(11(14)15)13-16-10/h2-5H,1H3,(H,14,15).
What are the key properties of 5-(3-fluoro-2-methylphenyl)-1,2-oxazole-3-carboxylic acid?
5-(3-fluoro-2-methylphenyl)-1,2-oxazole-3-carboxylic acid has a molecular weight of 221.19 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluoro-2-methylphenyl)-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 117315177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).