N-(1H-benzimidazol-2-ylmethyl)-4-methyl-1,2-oxazole-5-carboxamide

C13H12N4O2 — CID 79035627

IUPACN-(1H-benzimidazol-2-ylmethyl)-4-methyl-1,2-oxazole-5-carboxamide
SMILESCc1cnoc1C(=O)NCc1nc2ccccc2[nH]1
InChIInChI=1S/C13H12N4O2/c1-8-6-15-19-12(8)13(18)14-7-11-16-9-4-2-3-5-10(9)17-11/h2-6H,7H2,1H3,(H,14,18)(H,16,17)
InChIKeyFKGMUQNUFQKVAM-UHFFFAOYSA-N
MW256.26 g/mol
LogP1.79
Rot. Bonds3

About N-(1H-benzimidazol-2-ylmethyl)-4-methyl-1,2-oxazole-5-carboxamide

N-(1H-benzimidazol-2-ylmethyl)-4-methyl-1,2-oxazole-5-carboxamide (PubChem CID 79035627) has the molecular formula C13H12N4O2 and a molecular weight of 256.26 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-ylmethyl)-4-methyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-ylmethyl)-4-methyl-1,2-oxazole-5-carboxamide
PubChem CID79035627
Molecular FormulaC13H12N4O2
Molecular Weight256.26 g/mol
Exact Mass256.10
IUPAC NameN-(1H-benzimidazol-2-ylmethyl)-4-methyl-1,2-oxazole-5-carboxamide
SMILESCc1cnoc1C(=O)NCc1nc2ccccc2[nH]1
InChIInChI=1S/C13H12N4O2/c1-8-6-15-19-12(8)13(18)14-7-11-16-9-4-2-3-5-10(9)17-11/h2-6H,7H2,1H3,(H,14,18)(H,16,17)
InChIKeyFKGMUQNUFQKVAM-UHFFFAOYSA-N
XLogP1.79
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-4-methyl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-4-methyl-1,2-oxazole-5-carboxamide (CID 79035627) is N-(1H-benzimidazol-2-ylmethyl)-4-methyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-(1H-benzimidazol-2-ylmethyl)-4-methyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-(1H-benzimidazol-2-ylmethyl)-4-methyl-1,2-oxazole-5-carboxamide is Cc1cnoc1C(=O)NCc1nc2ccccc2[nH]1.
What is the InChIKey of N-(1H-benzimidazol-2-ylmethyl)-4-methyl-1,2-oxazole-5-carboxamide?
The InChIKey is FKGMUQNUFQKVAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O2/c1-8-6-15-19-12(8)13(18)14-7-11-16-9-4-2-3-5-10(9)17-11/h2-6H,7H2,1H3,(H,14,18)(H,16,17).
What are the key properties of N-(1H-benzimidazol-2-ylmethyl)-4-methyl-1,2-oxazole-5-carboxamide?
N-(1H-benzimidazol-2-ylmethyl)-4-methyl-1,2-oxazole-5-carboxamide has a molecular weight of 256.26 g/mol, XLogP of 1.79, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-ylmethyl)-4-methyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 79035627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).