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

C10H7N3O — CID 67416475

IUPAC3-(3H-benzimidazol-5-yl)-1,2-oxazole
SMILESc1nc2ccc(-c3ccon3)cc2[nH]1
InChIInChI=1S/C10H7N3O/c1-2-9-10(12-6-11-9)5-7(1)8-3-4-14-13-8/h1-6H,(H,11,12)
InChIKeyFHOREOWPDGCHHK-UHFFFAOYSA-N
MW185.19 g/mol
LogP2.22
Rot. Bonds1

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

3-(3H-benzimidazol-5-yl)-1,2-oxazole (PubChem CID 67416475) has the molecular formula C10H7N3O and a molecular weight of 185.19 g/mol. Its IUPAC name is 3-(3H-benzimidazol-5-yl)-1,2-oxazole.

Molecular Properties

Compound Name3-(3H-benzimidazol-5-yl)-1,2-oxazole
PubChem CID67416475
Molecular FormulaC10H7N3O
Molecular Weight185.19 g/mol
Exact Mass185.06
IUPAC Name3-(3H-benzimidazol-5-yl)-1,2-oxazole
SMILESc1nc2ccc(-c3ccon3)cc2[nH]1
InChIInChI=1S/C10H7N3O/c1-2-9-10(12-6-11-9)5-7(1)8-3-4-14-13-8/h1-6H,(H,11,12)
InChIKeyFHOREOWPDGCHHK-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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Related Compounds

4-(1H-Benzo[d]imidazol-6-yl)-3,5-dimethylisoxazole
CID 90667397
1-benzyl-N-(1,2-oxazol-3-ylmethyl)benzimidazol-2-amine
CID 155566464
3-(2-Benzimidazolyl)isoxazole
CID 135995578
5-[7-(1H-benzimidazol-2-yloxy)heptyl]-3-methyl-isoxazole
CID 5272765
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-3H-benzimidazole-5-carboxamide
CID 40151582
N-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-3H-benzimidazole-5-carboxamide
CID 75434471
4-(6-ethyl-1H-benzimidazol-2-yl)-3,5-dimethyl-1,2-oxazole
CID 97245792
N-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)-3H-benzimidazole-5-carboxamide
CID 136569300
6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-fluorophenyl)-1H-benzimidazol-4-amine
CID 121293105
3,5-dimethyl-4-[7-[2-(trifluoromethyl)phenyl]-3H-benzimidazol-5-yl]-1,2-oxazole
CID 121293166
4-[7-[1-(4-fluorophenyl)ethyl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole
CID 141414014
5-ethyl-3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1,2-oxazole
CID 145547494

Frequently Asked Questions

What is the IUPAC name of 3-(3H-benzimidazol-5-yl)-1,2-oxazole?
The IUPAC name of 3-(3H-benzimidazol-5-yl)-1,2-oxazole (CID 67416475) is 3-(3H-benzimidazol-5-yl)-1,2-oxazole.
What is the SMILES notation for 3-(3H-benzimidazol-5-yl)-1,2-oxazole?
The canonical SMILES for 3-(3H-benzimidazol-5-yl)-1,2-oxazole is c1nc2ccc(-c3ccon3)cc2[nH]1.
What is the InChIKey of 3-(3H-benzimidazol-5-yl)-1,2-oxazole?
The InChIKey is FHOREOWPDGCHHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N3O/c1-2-9-10(12-6-11-9)5-7(1)8-3-4-14-13-8/h1-6H,(H,11,12).
What are the key properties of 3-(3H-benzimidazol-5-yl)-1,2-oxazole?
3-(3H-benzimidazol-5-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-(3H-benzimidazol-5-yl)-1,2-oxazole is sourced from PubChem (CID 67416475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).