N-[4-(benzimidazol-1-yl)phenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide

C20H16N4O2 — CID 134011915

IUPACN-[4-(benzimidazol-1-yl)phenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1ccc(-n2cnc3ccccc32)cc1)c1cc(C2CC2)on1
InChIInChI=1S/C20H16N4O2/c25-20(17-11-19(26-23-17)13-5-6-13)22-14-7-9-15(10-8-14)24-12-21-16-3-1-2-4-18(16)24/h1-4,7-13H,5-6H2,(H,22,25)
InChIKeyILJPXILUJFOTIZ-UHFFFAOYSA-N
MW344.37 g/mol
LogP4.14
Rot. Bonds4

About N-[4-(benzimidazol-1-yl)phenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide

N-[4-(benzimidazol-1-yl)phenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide (PubChem CID 134011915) has the molecular formula C20H16N4O2 and a molecular weight of 344.37 g/mol. Its IUPAC name is N-[4-(benzimidazol-1-yl)phenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-(benzimidazol-1-yl)phenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
PubChem CID134011915
Molecular FormulaC20H16N4O2
Molecular Weight344.37 g/mol
Exact Mass344.13
IUPAC NameN-[4-(benzimidazol-1-yl)phenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1ccc(-n2cnc3ccccc32)cc1)c1cc(C2CC2)on1
InChIInChI=1S/C20H16N4O2/c25-20(17-11-19(26-23-17)13-5-6-13)22-14-7-9-15(10-8-14)24-12-21-16-3-1-2-4-18(16)24/h1-4,7-13H,5-6H2,(H,22,25)
InChIKeyILJPXILUJFOTIZ-UHFFFAOYSA-N
XLogP4.14
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(benzimidazol-1-yl)phenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[4-(benzimidazol-1-yl)phenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide (CID 134011915) is N-[4-(benzimidazol-1-yl)phenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[4-(benzimidazol-1-yl)phenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[4-(benzimidazol-1-yl)phenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide is O=C(Nc1ccc(-n2cnc3ccccc32)cc1)c1cc(C2CC2)on1.
What is the InChIKey of N-[4-(benzimidazol-1-yl)phenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide?
The InChIKey is ILJPXILUJFOTIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O2/c25-20(17-11-19(26-23-17)13-5-6-13)22-14-7-9-15(10-8-14)24-12-21-16-3-1-2-4-18(16)24/h1-4,7-13H,5-6H2,(H,22,25).
What are the key properties of N-[4-(benzimidazol-1-yl)phenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide?
N-[4-(benzimidazol-1-yl)phenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide has a molecular weight of 344.37 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(benzimidazol-1-yl)phenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 134011915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).