N-[3-(benzimidazol-1-yl)cyclobutyl]-5-phenyl-1,2-oxazole-3-carboxamide

C21H18N4O2 — CID 118608760

IUPACN-[3-(benzimidazol-1-yl)cyclobutyl]-5-phenyl-1,2-oxazole-3-carboxamide
SMILESO=C(NC1CC(n2cnc3ccccc32)C1)c1cc(-c2ccccc2)on1
InChIInChI=1S/C21H18N4O2/c26-21(18-12-20(27-24-18)14-6-2-1-3-7-14)23-15-10-16(11-15)25-13-22-17-8-4-5-9-19(17)25/h1-9,12-13,15-16H,10-11H2,(H,23,26)
InChIKeyQOKPXQPPGJIZHY-UHFFFAOYSA-N
MW358.40 g/mol
LogP3.82
Rot. Bonds4

About N-[3-(benzimidazol-1-yl)cyclobutyl]-5-phenyl-1,2-oxazole-3-carboxamide

N-[3-(benzimidazol-1-yl)cyclobutyl]-5-phenyl-1,2-oxazole-3-carboxamide (PubChem CID 118608760) has the molecular formula C21H18N4O2 and a molecular weight of 358.40 g/mol. Its IUPAC name is N-[3-(benzimidazol-1-yl)cyclobutyl]-5-phenyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-(benzimidazol-1-yl)cyclobutyl]-5-phenyl-1,2-oxazole-3-carboxamide
PubChem CID118608760
Molecular FormulaC21H18N4O2
Molecular Weight358.40 g/mol
Exact Mass358.14
IUPAC NameN-[3-(benzimidazol-1-yl)cyclobutyl]-5-phenyl-1,2-oxazole-3-carboxamide
SMILESO=C(NC1CC(n2cnc3ccccc32)C1)c1cc(-c2ccccc2)on1
InChIInChI=1S/C21H18N4O2/c26-21(18-12-20(27-24-18)14-6-2-1-3-7-14)23-15-10-16(11-15)25-13-22-17-8-4-5-9-19(17)25/h1-9,12-13,15-16H,10-11H2,(H,23,26)
InChIKeyQOKPXQPPGJIZHY-UHFFFAOYSA-N
XLogP3.82
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(benzimidazol-1-yl)cyclobutyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[3-(benzimidazol-1-yl)cyclobutyl]-5-phenyl-1,2-oxazole-3-carboxamide (CID 118608760) is N-[3-(benzimidazol-1-yl)cyclobutyl]-5-phenyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[3-(benzimidazol-1-yl)cyclobutyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[3-(benzimidazol-1-yl)cyclobutyl]-5-phenyl-1,2-oxazole-3-carboxamide is O=C(NC1CC(n2cnc3ccccc32)C1)c1cc(-c2ccccc2)on1.
What is the InChIKey of N-[3-(benzimidazol-1-yl)cyclobutyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The InChIKey is QOKPXQPPGJIZHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O2/c26-21(18-12-20(27-24-18)14-6-2-1-3-7-14)23-15-10-16(11-15)25-13-22-17-8-4-5-9-19(17)25/h1-9,12-13,15-16H,10-11H2,(H,23,26).
What are the key properties of N-[3-(benzimidazol-1-yl)cyclobutyl]-5-phenyl-1,2-oxazole-3-carboxamide?
N-[3-(benzimidazol-1-yl)cyclobutyl]-5-phenyl-1,2-oxazole-3-carboxamide has a molecular weight of 358.40 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(benzimidazol-1-yl)cyclobutyl]-5-phenyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 118608760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).