2-(2-fluoro-3-methylphenyl)-1,3-benzoxazole-4-carboxylic acid

C15H10FNO3 — CID 81479496

IUPAC2-(2-fluoro-3-methylphenyl)-1,3-benzoxazole-4-carboxylic acid
SMILESCc1cccc(-c2nc3c(C(=O)O)cccc3o2)c1F
InChIInChI=1S/C15H10FNO3/c1-8-4-2-5-9(12(8)16)14-17-13-10(15(18)19)6-3-7-11(13)20-14/h2-7H,1H3,(H,18,19)
InChIKeyHDKSHISOVRQUQH-UHFFFAOYSA-N
MW271.25 g/mol
LogP3.64
Rot. Bonds2

About 2-(2-fluoro-3-methylphenyl)-1,3-benzoxazole-4-carboxylic acid

2-(2-fluoro-3-methylphenyl)-1,3-benzoxazole-4-carboxylic acid (PubChem CID 81479496) has the molecular formula C15H10FNO3 and a molecular weight of 271.25 g/mol. Its IUPAC name is 2-(2-fluoro-3-methylphenyl)-1,3-benzoxazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(2-fluoro-3-methylphenyl)-1,3-benzoxazole-4-carboxylic acid
PubChem CID81479496
Molecular FormulaC15H10FNO3
Molecular Weight271.25 g/mol
Exact Mass271.06
IUPAC Name2-(2-fluoro-3-methylphenyl)-1,3-benzoxazole-4-carboxylic acid
SMILESCc1cccc(-c2nc3c(C(=O)O)cccc3o2)c1F
InChIInChI=1S/C15H10FNO3/c1-8-4-2-5-9(12(8)16)14-17-13-10(15(18)19)6-3-7-11(13)20-14/h2-7H,1H3,(H,18,19)
InChIKeyHDKSHISOVRQUQH-UHFFFAOYSA-N
XLogP3.64
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.25
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-hydroxyphenyl)-1,3-benzoxazole-4-carboxylic acid
CID 135957253
2-(2,6-difluorophenyl)-1,3-benzoxazole-4-carboxylic acid
CID 10869520
2-(3-bromo-2-methylphenyl)-1,3-benzoxazole-4-carboxylic acid
CID 81345978
2-(2-fluoro-3-methylphenyl)-1,3-benzoxazole-7-carboxylic acid
CID 81479408
2-(5-chloro-2-methylphenyl)-1,3-benzoxazole-4-carboxylic acid
CID 82890846
2-(3-fluoro-4-pyridinyl)-1,3-benzoxazole-4-carboxylic acid
CID 81346439
2-(3,6-dimethylpyridazin-4-yl)-1,3-benzoxazole-4-carboxylic acid
CID 104673209
2-(2-bromo-5-methylphenyl)-1,3-benzoxazole-4-carboxylic acid
CID 81345820
2-(2-methyl-1,3-thiazol-4-yl)-1,3-benzoxazole-4-carboxylic acid
CID 81345740
2-(2-fluoro-3-methylphenyl)-1H-benzimidazole-4-carboxylic acid
CID 81477808
2-(2,5-dibromothiophen-3-yl)-1,3-benzoxazole-4-carboxylic acid
CID 114021961
2-(2-benzamido-3-hydroxyphenyl)-1,3-benzoxazole-4-carboxylic acid
CID 25158661

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-3-methylphenyl)-1,3-benzoxazole-4-carboxylic acid?
The IUPAC name of 2-(2-fluoro-3-methylphenyl)-1,3-benzoxazole-4-carboxylic acid (CID 81479496) is 2-(2-fluoro-3-methylphenyl)-1,3-benzoxazole-4-carboxylic acid.
What is the SMILES notation for 2-(2-fluoro-3-methylphenyl)-1,3-benzoxazole-4-carboxylic acid?
The canonical SMILES for 2-(2-fluoro-3-methylphenyl)-1,3-benzoxazole-4-carboxylic acid is Cc1cccc(-c2nc3c(C(=O)O)cccc3o2)c1F.
What is the InChIKey of 2-(2-fluoro-3-methylphenyl)-1,3-benzoxazole-4-carboxylic acid?
The InChIKey is HDKSHISOVRQUQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FNO3/c1-8-4-2-5-9(12(8)16)14-17-13-10(15(18)19)6-3-7-11(13)20-14/h2-7H,1H3,(H,18,19).
What are the key properties of 2-(2-fluoro-3-methylphenyl)-1,3-benzoxazole-4-carboxylic acid?
2-(2-fluoro-3-methylphenyl)-1,3-benzoxazole-4-carboxylic acid has a molecular weight of 271.25 g/mol, XLogP of 3.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-3-methylphenyl)-1,3-benzoxazole-4-carboxylic acid is sourced from PubChem (CID 81479496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).