2-(benzimidazol-1-ylmethyl)-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1,3-oxazole-4-carboxamide

C17H16N6O3 — CID 56717530

IUPAC2-(benzimidazol-1-ylmethyl)-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1,3-oxazole-4-carboxamide
SMILESCc1nonc1CN(C)C(=O)c1coc(Cn2cnc3ccccc32)n1
InChIInChI=1S/C17H16N6O3/c1-11-13(21-26-20-11)7-22(2)17(24)14-9-25-16(19-14)8-23-10-18-12-5-3-4-6-15(12)23/h3-6,9-10H,7-8H2,1-2H3
InChIKeyBMHPZMOYPSSWNF-UHFFFAOYSA-N
MW352.35 g/mol
LogP2.04
Rot. Bonds5

About 2-(benzimidazol-1-ylmethyl)-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1,3-oxazole-4-carboxamide

2-(benzimidazol-1-ylmethyl)-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1,3-oxazole-4-carboxamide (PubChem CID 56717530) has the molecular formula C17H16N6O3 and a molecular weight of 352.35 g/mol. Its IUPAC name is 2-(benzimidazol-1-ylmethyl)-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(benzimidazol-1-ylmethyl)-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1,3-oxazole-4-carboxamide
PubChem CID56717530
Molecular FormulaC17H16N6O3
Molecular Weight352.35 g/mol
Exact Mass352.13
IUPAC Name2-(benzimidazol-1-ylmethyl)-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1,3-oxazole-4-carboxamide
SMILESCc1nonc1CN(C)C(=O)c1coc(Cn2cnc3ccccc32)n1
InChIInChI=1S/C17H16N6O3/c1-11-13(21-26-20-11)7-22(2)17(24)14-9-25-16(19-14)8-23-10-18-12-5-3-4-6-15(12)23/h3-6,9-10H,7-8H2,1-2H3
InChIKeyBMHPZMOYPSSWNF-UHFFFAOYSA-N
XLogP2.04
TPSA103.08 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.35
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazol-1-ylmethyl)-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(benzimidazol-1-ylmethyl)-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1,3-oxazole-4-carboxamide (CID 56717530) is 2-(benzimidazol-1-ylmethyl)-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(benzimidazol-1-ylmethyl)-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(benzimidazol-1-ylmethyl)-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1,3-oxazole-4-carboxamide is Cc1nonc1CN(C)C(=O)c1coc(Cn2cnc3ccccc32)n1.
What is the InChIKey of 2-(benzimidazol-1-ylmethyl)-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1,3-oxazole-4-carboxamide?
The InChIKey is BMHPZMOYPSSWNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6O3/c1-11-13(21-26-20-11)7-22(2)17(24)14-9-25-16(19-14)8-23-10-18-12-5-3-4-6-15(12)23/h3-6,9-10H,7-8H2,1-2H3.
What are the key properties of 2-(benzimidazol-1-ylmethyl)-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1,3-oxazole-4-carboxamide?
2-(benzimidazol-1-ylmethyl)-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1,3-oxazole-4-carboxamide has a molecular weight of 352.35 g/mol, XLogP of 2.04, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzimidazol-1-ylmethyl)-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 56717530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).