3-[3-(5-cyclopropylbenzimidazol-1-yl)phenyl]-1,2-oxazole

C19H15N3O — CID 11324072

IUPAC3-[3-(5-cyclopropylbenzimidazol-1-yl)phenyl]-1,2-oxazole
SMILESc1cc(-c2ccon2)cc(-n2cnc3cc(C4CC4)ccc32)c1
InChIInChI=1S/C19H15N3O/c1-2-15(17-8-9-23-21-17)10-16(3-1)22-12-20-18-11-14(13-4-5-13)6-7-19(18)22/h1-3,6-13H,4-5H2
InChIKeyKFLUFQOUKTULRY-UHFFFAOYSA-N
MW301.35 g/mol
LogP4.56
Rot. Bonds3

About 3-[3-(5-cyclopropylbenzimidazol-1-yl)phenyl]-1,2-oxazole

3-[3-(5-cyclopropylbenzimidazol-1-yl)phenyl]-1,2-oxazole (PubChem CID 11324072) has the molecular formula C19H15N3O and a molecular weight of 301.35 g/mol. Its IUPAC name is 3-[3-(5-cyclopropylbenzimidazol-1-yl)phenyl]-1,2-oxazole.

Molecular Properties

Compound Name3-[3-(5-cyclopropylbenzimidazol-1-yl)phenyl]-1,2-oxazole
PubChem CID11324072
Molecular FormulaC19H15N3O
Molecular Weight301.35 g/mol
Exact Mass301.12
IUPAC Name3-[3-(5-cyclopropylbenzimidazol-1-yl)phenyl]-1,2-oxazole
SMILESc1cc(-c2ccon2)cc(-n2cnc3cc(C4CC4)ccc32)c1
InChIInChI=1S/C19H15N3O/c1-2-15(17-8-9-23-21-17)10-16(3-1)22-12-20-18-11-14(13-4-5-13)6-7-19(18)22/h1-3,6-13H,4-5H2
InChIKeyKFLUFQOUKTULRY-UHFFFAOYSA-N
XLogP4.56
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(5-cyclopropylbenzimidazol-1-yl)phenyl]-1,2-oxazole?
The IUPAC name of 3-[3-(5-cyclopropylbenzimidazol-1-yl)phenyl]-1,2-oxazole (CID 11324072) is 3-[3-(5-cyclopropylbenzimidazol-1-yl)phenyl]-1,2-oxazole.
What is the SMILES notation for 3-[3-(5-cyclopropylbenzimidazol-1-yl)phenyl]-1,2-oxazole?
The canonical SMILES for 3-[3-(5-cyclopropylbenzimidazol-1-yl)phenyl]-1,2-oxazole is c1cc(-c2ccon2)cc(-n2cnc3cc(C4CC4)ccc32)c1.
What is the InChIKey of 3-[3-(5-cyclopropylbenzimidazol-1-yl)phenyl]-1,2-oxazole?
The InChIKey is KFLUFQOUKTULRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O/c1-2-15(17-8-9-23-21-17)10-16(3-1)22-12-20-18-11-14(13-4-5-13)6-7-19(18)22/h1-3,6-13H,4-5H2.
What are the key properties of 3-[3-(5-cyclopropylbenzimidazol-1-yl)phenyl]-1,2-oxazole?
3-[3-(5-cyclopropylbenzimidazol-1-yl)phenyl]-1,2-oxazole has a molecular weight of 301.35 g/mol, XLogP of 4.56, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(5-cyclopropylbenzimidazol-1-yl)phenyl]-1,2-oxazole is sourced from PubChem (CID 11324072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).