6-fluoro-2-(4-methyl-1,3-oxazol-5-yl)-1H-benzimidazole-4-carboxylic acid

C12H8FN3O3 — CID 103436255

IUPAC6-fluoro-2-(4-methyl-1,3-oxazol-5-yl)-1H-benzimidazole-4-carboxylic acid
SMILESCc1ncoc1-c1nc2c(C(=O)O)cc(F)cc2[nH]1
InChIInChI=1S/C12H8FN3O3/c1-5-10(19-4-14-5)11-15-8-3-6(13)2-7(12(17)18)9(8)16-11/h2-4H,1H3,(H,15,16)(H,17,18)
InChIKeyFGHAAFSNTIUMBQ-UHFFFAOYSA-N
MW261.21 g/mol
LogP2.36
Rot. Bonds2

About 6-fluoro-2-(4-methyl-1,3-oxazol-5-yl)-1H-benzimidazole-4-carboxylic acid

6-fluoro-2-(4-methyl-1,3-oxazol-5-yl)-1H-benzimidazole-4-carboxylic acid (PubChem CID 103436255) has the molecular formula C12H8FN3O3 and a molecular weight of 261.21 g/mol. Its IUPAC name is 6-fluoro-2-(4-methyl-1,3-oxazol-5-yl)-1H-benzimidazole-4-carboxylic acid.

Molecular Properties

Compound Name6-fluoro-2-(4-methyl-1,3-oxazol-5-yl)-1H-benzimidazole-4-carboxylic acid
PubChem CID103436255
Molecular FormulaC12H8FN3O3
Molecular Weight261.21 g/mol
Exact Mass261.05
IUPAC Name6-fluoro-2-(4-methyl-1,3-oxazol-5-yl)-1H-benzimidazole-4-carboxylic acid
SMILESCc1ncoc1-c1nc2c(C(=O)O)cc(F)cc2[nH]1
InChIInChI=1S/C12H8FN3O3/c1-5-10(19-4-14-5)11-15-8-3-6(13)2-7(12(17)18)9(8)16-11/h2-4H,1H3,(H,15,16)(H,17,18)
InChIKeyFGHAAFSNTIUMBQ-UHFFFAOYSA-N
XLogP2.36
TPSA92.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.21
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,4-dimethyl-1,3-oxazol-5-yl)-6-fluoro-1H-benzimidazole-4-carboxylic acid
CID 103435917
6-fluoro-2-(3-fluoro-5-methylphenyl)-1H-benzimidazole-4-carboxylic acid
CID 103436169
2-(5-chloro-2-fluorophenyl)-6-fluoro-1H-benzimidazole-4-carboxylic acid
CID 103435825
6-fluoro-2-(1-methylpyrazol-3-yl)-1H-benzimidazole-4-carboxylic acid
CID 136948243
2-(5-ethylfuran-2-yl)-6-fluoro-1H-benzimidazole-4-carboxylic acid
CID 103436113
2-(2-bromo-4-fluorophenyl)-6-fluoro-1H-benzimidazole-4-carboxylic acid
CID 103436100
6-fluoro-2-(5-iodothiophen-3-yl)-1H-benzimidazole-4-carboxylic acid
CID 103436055
2-(4-bromo-2-fluorophenyl)-6-fluoro-1H-benzimidazole-4-carboxylic acid
CID 103436111
6-fluoro-2-[(4-fluorophenyl)methyl]-1H-benzimidazole-4-carboxylic acid
CID 103435877
2-(5-bromo-2-chlorophenyl)-6-fluoro-1H-benzimidazole-4-carboxylic acid
CID 103435950
6-fluoro-2-[2-(furan-2-yl)ethyl]-1H-benzimidazole-4-carboxylic acid
CID 103436025
6-fluoro-2-(3-methyloxolan-2-yl)-1H-benzimidazole-4-carboxylic acid
CID 103436206

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-(4-methyl-1,3-oxazol-5-yl)-1H-benzimidazole-4-carboxylic acid?
The IUPAC name of 6-fluoro-2-(4-methyl-1,3-oxazol-5-yl)-1H-benzimidazole-4-carboxylic acid (CID 103436255) is 6-fluoro-2-(4-methyl-1,3-oxazol-5-yl)-1H-benzimidazole-4-carboxylic acid.
What is the SMILES notation for 6-fluoro-2-(4-methyl-1,3-oxazol-5-yl)-1H-benzimidazole-4-carboxylic acid?
The canonical SMILES for 6-fluoro-2-(4-methyl-1,3-oxazol-5-yl)-1H-benzimidazole-4-carboxylic acid is Cc1ncoc1-c1nc2c(C(=O)O)cc(F)cc2[nH]1.
What is the InChIKey of 6-fluoro-2-(4-methyl-1,3-oxazol-5-yl)-1H-benzimidazole-4-carboxylic acid?
The InChIKey is FGHAAFSNTIUMBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8FN3O3/c1-5-10(19-4-14-5)11-15-8-3-6(13)2-7(12(17)18)9(8)16-11/h2-4H,1H3,(H,15,16)(H,17,18).
What are the key properties of 6-fluoro-2-(4-methyl-1,3-oxazol-5-yl)-1H-benzimidazole-4-carboxylic acid?
6-fluoro-2-(4-methyl-1,3-oxazol-5-yl)-1H-benzimidazole-4-carboxylic acid has a molecular weight of 261.21 g/mol, XLogP of 2.36, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-(4-methyl-1,3-oxazol-5-yl)-1H-benzimidazole-4-carboxylic acid is sourced from PubChem (CID 103436255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).