3-[2-(1-cyclopropyl-2-methylbenzimidazol-5-yl)ethyl]-1,2-oxazole

C16H17N3O — CID 166374041

IUPAC3-[2-(1-cyclopropyl-2-methylbenzimidazol-5-yl)ethyl]-1,2-oxazole
SMILESCc1nc2cc(CCc3ccon3)ccc2n1C1CC1
InChIInChI=1S/C16H17N3O/c1-11-17-15-10-12(2-4-13-8-9-20-18-13)3-7-16(15)19(11)14-5-6-14/h3,7-10,14H,2,4-6H2,1H3
InChIKeyFVJBKQWYSIAFRK-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.45
Rot. Bonds4

About 3-[2-(1-cyclopropyl-2-methylbenzimidazol-5-yl)ethyl]-1,2-oxazole

3-[2-(1-cyclopropyl-2-methylbenzimidazol-5-yl)ethyl]-1,2-oxazole (PubChem CID 166374041) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 3-[2-(1-cyclopropyl-2-methylbenzimidazol-5-yl)ethyl]-1,2-oxazole.

Molecular Properties

Compound Name3-[2-(1-cyclopropyl-2-methylbenzimidazol-5-yl)ethyl]-1,2-oxazole
PubChem CID166374041
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name3-[2-(1-cyclopropyl-2-methylbenzimidazol-5-yl)ethyl]-1,2-oxazole
SMILESCc1nc2cc(CCc3ccon3)ccc2n1C1CC1
InChIInChI=1S/C16H17N3O/c1-11-17-15-10-12(2-4-13-8-9-20-18-13)3-7-16(15)19(11)14-5-6-14/h3,7-10,14H,2,4-6H2,1H3
InChIKeyFVJBKQWYSIAFRK-UHFFFAOYSA-N
XLogP3.45
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(1-cyclopropyl-2-methylbenzimidazol-5-yl)ethyl]-1,2-oxazole?
The IUPAC name of 3-[2-(1-cyclopropyl-2-methylbenzimidazol-5-yl)ethyl]-1,2-oxazole (CID 166374041) is 3-[2-(1-cyclopropyl-2-methylbenzimidazol-5-yl)ethyl]-1,2-oxazole.
What is the SMILES notation for 3-[2-(1-cyclopropyl-2-methylbenzimidazol-5-yl)ethyl]-1,2-oxazole?
The canonical SMILES for 3-[2-(1-cyclopropyl-2-methylbenzimidazol-5-yl)ethyl]-1,2-oxazole is Cc1nc2cc(CCc3ccon3)ccc2n1C1CC1.
What is the InChIKey of 3-[2-(1-cyclopropyl-2-methylbenzimidazol-5-yl)ethyl]-1,2-oxazole?
The InChIKey is FVJBKQWYSIAFRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-11-17-15-10-12(2-4-13-8-9-20-18-13)3-7-16(15)19(11)14-5-6-14/h3,7-10,14H,2,4-6H2,1H3.
What are the key properties of 3-[2-(1-cyclopropyl-2-methylbenzimidazol-5-yl)ethyl]-1,2-oxazole?
3-[2-(1-cyclopropyl-2-methylbenzimidazol-5-yl)ethyl]-1,2-oxazole has a molecular weight of 267.33 g/mol, XLogP of 3.45, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1-cyclopropyl-2-methylbenzimidazol-5-yl)ethyl]-1,2-oxazole is sourced from PubChem (CID 166374041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).