5-methyl-N-[6-(methylcarbamoyl)-2-phenyl-1H-benzimidazol-5-yl]-1,2-oxazole-3-carboxamide

C20H17N5O3 — CID 165415094

IUPAC5-methyl-N-[6-(methylcarbamoyl)-2-phenyl-1H-benzimidazol-5-yl]-1,2-oxazole-3-carboxamide
SMILESCNC(=O)c1cc2[nH]c(-c3ccccc3)nc2cc1NC(=O)c1cc(C)on1
InChIInChI=1S/C20H17N5O3/c1-11-8-17(25-28-11)20(27)24-14-10-16-15(9-13(14)19(26)21-2)22-18(23-16)12-6-4-3-5-7-12/h3-10H,1-2H3,(H,21,26)(H,22,23)(H,24,27)
InChIKeyNPULXOOZCUMBQL-UHFFFAOYSA-N
MW375.39 g/mol
LogP3.14
Rot. Bonds4

About 5-methyl-N-[6-(methylcarbamoyl)-2-phenyl-1H-benzimidazol-5-yl]-1,2-oxazole-3-carboxamide

5-methyl-N-[6-(methylcarbamoyl)-2-phenyl-1H-benzimidazol-5-yl]-1,2-oxazole-3-carboxamide (PubChem CID 165415094) has the molecular formula C20H17N5O3 and a molecular weight of 375.39 g/mol. Its IUPAC name is 5-methyl-N-[6-(methylcarbamoyl)-2-phenyl-1H-benzimidazol-5-yl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[6-(methylcarbamoyl)-2-phenyl-1H-benzimidazol-5-yl]-1,2-oxazole-3-carboxamide
PubChem CID165415094
Molecular FormulaC20H17N5O3
Molecular Weight375.39 g/mol
Exact Mass375.13
IUPAC Name5-methyl-N-[6-(methylcarbamoyl)-2-phenyl-1H-benzimidazol-5-yl]-1,2-oxazole-3-carboxamide
SMILESCNC(=O)c1cc2[nH]c(-c3ccccc3)nc2cc1NC(=O)c1cc(C)on1
InChIInChI=1S/C20H17N5O3/c1-11-8-17(25-28-11)20(27)24-14-10-16-15(9-13(14)19(26)21-2)22-18(23-16)12-6-4-3-5-7-12/h3-10H,1-2H3,(H,21,26)(H,22,23)(H,24,27)
InChIKeyNPULXOOZCUMBQL-UHFFFAOYSA-N
XLogP3.14
TPSA112.91 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.39
LogP ≤ 53.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[6-(methylcarbamoyl)-2-phenyl-1H-benzimidazol-5-yl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-methyl-N-[6-(methylcarbamoyl)-2-phenyl-1H-benzimidazol-5-yl]-1,2-oxazole-3-carboxamide (CID 165415094) is 5-methyl-N-[6-(methylcarbamoyl)-2-phenyl-1H-benzimidazol-5-yl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-methyl-N-[6-(methylcarbamoyl)-2-phenyl-1H-benzimidazol-5-yl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-methyl-N-[6-(methylcarbamoyl)-2-phenyl-1H-benzimidazol-5-yl]-1,2-oxazole-3-carboxamide is CNC(=O)c1cc2[nH]c(-c3ccccc3)nc2cc1NC(=O)c1cc(C)on1.
What is the InChIKey of 5-methyl-N-[6-(methylcarbamoyl)-2-phenyl-1H-benzimidazol-5-yl]-1,2-oxazole-3-carboxamide?
The InChIKey is NPULXOOZCUMBQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O3/c1-11-8-17(25-28-11)20(27)24-14-10-16-15(9-13(14)19(26)21-2)22-18(23-16)12-6-4-3-5-7-12/h3-10H,1-2H3,(H,21,26)(H,22,23)(H,24,27).
What are the key properties of 5-methyl-N-[6-(methylcarbamoyl)-2-phenyl-1H-benzimidazol-5-yl]-1,2-oxazole-3-carboxamide?
5-methyl-N-[6-(methylcarbamoyl)-2-phenyl-1H-benzimidazol-5-yl]-1,2-oxazole-3-carboxamide has a molecular weight of 375.39 g/mol, XLogP of 3.14, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[6-(methylcarbamoyl)-2-phenyl-1H-benzimidazol-5-yl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 165415094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).