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

C13H10FN3O3 — CID 103435917

IUPAC2-(2,4-dimethyl-1,3-oxazol-5-yl)-6-fluoro-1H-benzimidazole-4-carboxylic acid
SMILESCc1nc(C)c(-c2nc3c(C(=O)O)cc(F)cc3[nH]2)o1
InChIInChI=1S/C13H10FN3O3/c1-5-11(20-6(2)15-5)12-16-9-4-7(14)3-8(13(18)19)10(9)17-12/h3-4H,1-2H3,(H,16,17)(H,18,19)
InChIKeyOXANRDFMTIOSNJ-UHFFFAOYSA-N
MW275.24 g/mol
LogP2.67
Rot. Bonds2

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

2-(2,4-dimethyl-1,3-oxazol-5-yl)-6-fluoro-1H-benzimidazole-4-carboxylic acid (PubChem CID 103435917) has the molecular formula C13H10FN3O3 and a molecular weight of 275.24 g/mol. Its IUPAC name is 2-(2,4-dimethyl-1,3-oxazol-5-yl)-6-fluoro-1H-benzimidazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(2,4-dimethyl-1,3-oxazol-5-yl)-6-fluoro-1H-benzimidazole-4-carboxylic acid
PubChem CID103435917
Molecular FormulaC13H10FN3O3
Molecular Weight275.24 g/mol
Exact Mass275.07
IUPAC Name2-(2,4-dimethyl-1,3-oxazol-5-yl)-6-fluoro-1H-benzimidazole-4-carboxylic acid
SMILESCc1nc(C)c(-c2nc3c(C(=O)O)cc(F)cc3[nH]2)o1
InChIInChI=1S/C13H10FN3O3/c1-5-11(20-6(2)15-5)12-16-9-4-7(14)3-8(13(18)19)10(9)17-12/h3-4H,1-2H3,(H,16,17)(H,18,19)
InChIKeyOXANRDFMTIOSNJ-UHFFFAOYSA-N
XLogP2.67
TPSA92.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.24
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-fluoro-2-(4-methyl-1,3-oxazol-5-yl)-1H-benzimidazole-4-carboxylic acid
CID 103436255
6-fluoro-2-(3-fluoro-5-methylphenyl)-1H-benzimidazole-4-carboxylic acid
CID 103436169
2-(5-ethylfuran-2-yl)-6-fluoro-1H-benzimidazole-4-carboxylic acid
CID 103436113
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-(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-(3-methyloxolan-2-yl)-1H-benzimidazole-4-carboxylic acid
CID 103436206
6-methyl-2-(4-methylphenyl)-1H-benzimidazole-4-carboxylic acid
CID 91318855

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethyl-1,3-oxazol-5-yl)-6-fluoro-1H-benzimidazole-4-carboxylic acid?
The IUPAC name of 2-(2,4-dimethyl-1,3-oxazol-5-yl)-6-fluoro-1H-benzimidazole-4-carboxylic acid (CID 103435917) is 2-(2,4-dimethyl-1,3-oxazol-5-yl)-6-fluoro-1H-benzimidazole-4-carboxylic acid.
What is the SMILES notation for 2-(2,4-dimethyl-1,3-oxazol-5-yl)-6-fluoro-1H-benzimidazole-4-carboxylic acid?
The canonical SMILES for 2-(2,4-dimethyl-1,3-oxazol-5-yl)-6-fluoro-1H-benzimidazole-4-carboxylic acid is Cc1nc(C)c(-c2nc3c(C(=O)O)cc(F)cc3[nH]2)o1.
What is the InChIKey of 2-(2,4-dimethyl-1,3-oxazol-5-yl)-6-fluoro-1H-benzimidazole-4-carboxylic acid?
The InChIKey is OXANRDFMTIOSNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN3O3/c1-5-11(20-6(2)15-5)12-16-9-4-7(14)3-8(13(18)19)10(9)17-12/h3-4H,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 2-(2,4-dimethyl-1,3-oxazol-5-yl)-6-fluoro-1H-benzimidazole-4-carboxylic acid?
2-(2,4-dimethyl-1,3-oxazol-5-yl)-6-fluoro-1H-benzimidazole-4-carboxylic acid has a molecular weight of 275.24 g/mol, XLogP of 2.67, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethyl-1,3-oxazol-5-yl)-6-fluoro-1H-benzimidazole-4-carboxylic acid is sourced from PubChem (CID 103435917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).