N-(1H-benzimidazol-2-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide

C18H14N4O2 — CID 3793503

IUPACN-(1H-benzimidazol-2-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2)c1C(=O)Nc1nc2ccccc2[nH]1
InChIInChI=1S/C18H14N4O2/c1-11-15(16(22-24-11)12-7-3-2-4-8-12)17(23)21-18-19-13-9-5-6-10-14(13)20-18/h2-10H,1H3,(H2,19,20,21,23)
InChIKeyOZAQOCWHUNSFKN-UHFFFAOYSA-N
MW318.34 g/mol
LogP3.78
Rot. Bonds3

About N-(1H-benzimidazol-2-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide

N-(1H-benzimidazol-2-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide (PubChem CID 3793503) has the molecular formula C18H14N4O2 and a molecular weight of 318.34 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
PubChem CID3793503
Molecular FormulaC18H14N4O2
Molecular Weight318.34 g/mol
Exact Mass318.11
IUPAC NameN-(1H-benzimidazol-2-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2)c1C(=O)Nc1nc2ccccc2[nH]1
InChIInChI=1S/C18H14N4O2/c1-11-15(16(22-24-11)12-7-3-2-4-8-12)17(23)21-18-19-13-9-5-6-10-14(13)20-18/h2-10H,1H3,(H2,19,20,21,23)
InChIKeyOZAQOCWHUNSFKN-UHFFFAOYSA-N
XLogP3.78
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-(1H-benzimidazol-2-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide (CID 3793503) is N-(1H-benzimidazol-2-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-(1H-benzimidazol-2-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-(1H-benzimidazol-2-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide is Cc1onc(-c2ccccc2)c1C(=O)Nc1nc2ccccc2[nH]1.
What is the InChIKey of N-(1H-benzimidazol-2-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The InChIKey is OZAQOCWHUNSFKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O2/c1-11-15(16(22-24-11)12-7-3-2-4-8-12)17(23)21-18-19-13-9-5-6-10-14(13)20-18/h2-10H,1H3,(H2,19,20,21,23).
What are the key properties of N-(1H-benzimidazol-2-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
N-(1H-benzimidazol-2-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide has a molecular weight of 318.34 g/mol, XLogP of 3.78, 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-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 3793503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).