3-(2-cyclopropyl-3H-benzimidazol-5-yl)-1,2-oxazole-5-carboxylic acid

C14H11N3O3 — CID 117426078

IUPAC3-(2-cyclopropyl-3H-benzimidazol-5-yl)-1,2-oxazole-5-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc3nc(C4CC4)[nH]c3c2)no1
InChIInChI=1S/C14H11N3O3/c18-14(19)12-6-10(17-20-12)8-3-4-9-11(5-8)16-13(15-9)7-1-2-7/h3-7H,1-2H2,(H,15,16)(H,18,19)
InChIKeyFTRWONOXKZRNMU-UHFFFAOYSA-N
MW269.26 g/mol
LogP2.79
Rot. Bonds3

About 3-(2-cyclopropyl-3H-benzimidazol-5-yl)-1,2-oxazole-5-carboxylic acid

3-(2-cyclopropyl-3H-benzimidazol-5-yl)-1,2-oxazole-5-carboxylic acid (PubChem CID 117426078) has the molecular formula C14H11N3O3 and a molecular weight of 269.26 g/mol. Its IUPAC name is 3-(2-cyclopropyl-3H-benzimidazol-5-yl)-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(2-cyclopropyl-3H-benzimidazol-5-yl)-1,2-oxazole-5-carboxylic acid
PubChem CID117426078
Molecular FormulaC14H11N3O3
Molecular Weight269.26 g/mol
Exact Mass269.08
IUPAC Name3-(2-cyclopropyl-3H-benzimidazol-5-yl)-1,2-oxazole-5-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc3nc(C4CC4)[nH]c3c2)no1
InChIInChI=1S/C14H11N3O3/c18-14(19)12-6-10(17-20-12)8-3-4-9-11(5-8)16-13(15-9)7-1-2-7/h3-7H,1-2H2,(H,15,16)(H,18,19)
InChIKeyFTRWONOXKZRNMU-UHFFFAOYSA-N
XLogP2.79
TPSA92.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopentyl-3H-benzimidazole-5-carboxylic acid
CID 43168815
3-(4-cycloheptylphenyl)-1,2-oxazole-5-carboxylic acid
CID 117459623
3-[4-(thian-4-yl)phenyl]-1,2-oxazole-5-carboxylic acid
CID 117467511
4-(2-cyclopropyl-3H-benzimidazol-5-yl)-4-oxobutanoic acid
CID 82052773
3-[3-chloro-4-(oxan-4-yl)phenyl]-1,2-oxazole-5-carboxylic acid
CID 117492610
3-pyridazin-4-yl-1,2-oxazole-5-carboxylic acid
CID 59438307
3-(3,4-diethylphenyl)-1,2-oxazole-5-carboxylic acid
CID 117364843
1-(2-cyclopentyl-3H-benzimidazol-5-yl)ethanone
CID 82494798
3-[3-(1-methylpiperidin-4-yl)phenyl]-1,2-oxazole-5-carboxylic acid
CID 117461860
3-(2-propan-2-yl-1,3-benzothiazol-6-yl)-1,2-oxazole-5-carboxylic acid
CID 117465769
cis-(1S,3R)-3-(6-pyridin-4-yl-1H-benzimidazol-2-yl)cyclopentan-1-amine;bis(2,2,2-trifluoroacetic acid)
CID 117074727
5-(2-cyclopropyl-3H-benzimidazol-5-yl)pyrrolidine-3-carboxylic acid
CID 117431127

Frequently Asked Questions

What is the IUPAC name of 3-(2-cyclopropyl-3H-benzimidazol-5-yl)-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 3-(2-cyclopropyl-3H-benzimidazol-5-yl)-1,2-oxazole-5-carboxylic acid (CID 117426078) is 3-(2-cyclopropyl-3H-benzimidazol-5-yl)-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 3-(2-cyclopropyl-3H-benzimidazol-5-yl)-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 3-(2-cyclopropyl-3H-benzimidazol-5-yl)-1,2-oxazole-5-carboxylic acid is O=C(O)c1cc(-c2ccc3nc(C4CC4)[nH]c3c2)no1.
What is the InChIKey of 3-(2-cyclopropyl-3H-benzimidazol-5-yl)-1,2-oxazole-5-carboxylic acid?
The InChIKey is FTRWONOXKZRNMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O3/c18-14(19)12-6-10(17-20-12)8-3-4-9-11(5-8)16-13(15-9)7-1-2-7/h3-7H,1-2H2,(H,15,16)(H,18,19).
What are the key properties of 3-(2-cyclopropyl-3H-benzimidazol-5-yl)-1,2-oxazole-5-carboxylic acid?
3-(2-cyclopropyl-3H-benzimidazol-5-yl)-1,2-oxazole-5-carboxylic acid has a molecular weight of 269.26 g/mol, XLogP of 2.79, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyclopropyl-3H-benzimidazol-5-yl)-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 117426078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).