3-(1H-benzimidazol-2-yl)-1,2-oxazole

C10H7N3O — CID 135995578

IUPAC3-(1H-benzimidazol-2-yl)-1,2-oxazole
SMILESc1ccc2[nH]c(-c3ccon3)nc2c1
InChIInChI=1S/C10H7N3O/c1-2-4-8-7(3-1)11-10(12-8)9-5-6-14-13-9/h1-6H,(H,11,12)
InChIKeyZRFXRPBPISZLNQ-UHFFFAOYSA-N
MW185.19 g/mol
LogP2.22
Rot. Bonds1

About 3-(1H-benzimidazol-2-yl)-1,2-oxazole

3-(1H-benzimidazol-2-yl)-1,2-oxazole (PubChem CID 135995578) has the molecular formula C10H7N3O and a molecular weight of 185.19 g/mol. Its IUPAC name is 3-(1H-benzimidazol-2-yl)-1,2-oxazole.

Molecular Properties

Compound Name3-(1H-benzimidazol-2-yl)-1,2-oxazole
PubChem CID135995578
Molecular FormulaC10H7N3O
Molecular Weight185.19 g/mol
Exact Mass185.06
IUPAC Name3-(1H-benzimidazol-2-yl)-1,2-oxazole
SMILESc1ccc2[nH]c(-c3ccon3)nc2c1
InChIInChI=1S/C10H7N3O/c1-2-4-8-7(3-1)11-10(12-8)9-5-6-14-13-9/h1-6H,(H,11,12)
InChIKeyZRFXRPBPISZLNQ-UHFFFAOYSA-N
XLogP2.22
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.19
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-benzimidazol-2-yl)-1,2-oxazole?
The IUPAC name of 3-(1H-benzimidazol-2-yl)-1,2-oxazole (CID 135995578) is 3-(1H-benzimidazol-2-yl)-1,2-oxazole.
What is the SMILES notation for 3-(1H-benzimidazol-2-yl)-1,2-oxazole?
The canonical SMILES for 3-(1H-benzimidazol-2-yl)-1,2-oxazole is c1ccc2[nH]c(-c3ccon3)nc2c1.
What is the InChIKey of 3-(1H-benzimidazol-2-yl)-1,2-oxazole?
The InChIKey is ZRFXRPBPISZLNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N3O/c1-2-4-8-7(3-1)11-10(12-8)9-5-6-14-13-9/h1-6H,(H,11,12).
What are the key properties of 3-(1H-benzimidazol-2-yl)-1,2-oxazole?
3-(1H-benzimidazol-2-yl)-1,2-oxazole has a molecular weight of 185.19 g/mol, XLogP of 2.22, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-benzimidazol-2-yl)-1,2-oxazole is sourced from PubChem (CID 135995578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).