5-benzyl-N-(3-methylbenzimidazol-5-yl)-1,2-oxazole-3-carboxamide

C19H16N4O2 — CID 167913151

IUPAC5-benzyl-N-(3-methylbenzimidazol-5-yl)-1,2-oxazole-3-carboxamide
SMILESCn1cnc2ccc(NC(=O)c3cc(Cc4ccccc4)on3)cc21
InChIInChI=1S/C19H16N4O2/c1-23-12-20-16-8-7-14(10-18(16)23)21-19(24)17-11-15(25-22-17)9-13-5-3-2-4-6-13/h2-8,10-12H,9H2,1H3,(H,21,24)
InChIKeyKUDGOSPAYPXAPN-UHFFFAOYSA-N
MW332.36 g/mol
LogP3.40
Rot. Bonds4

About 5-benzyl-N-(3-methylbenzimidazol-5-yl)-1,2-oxazole-3-carboxamide

5-benzyl-N-(3-methylbenzimidazol-5-yl)-1,2-oxazole-3-carboxamide (PubChem CID 167913151) has the molecular formula C19H16N4O2 and a molecular weight of 332.36 g/mol. Its IUPAC name is 5-benzyl-N-(3-methylbenzimidazol-5-yl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-benzyl-N-(3-methylbenzimidazol-5-yl)-1,2-oxazole-3-carboxamide
PubChem CID167913151
Molecular FormulaC19H16N4O2
Molecular Weight332.36 g/mol
Exact Mass332.13
IUPAC Name5-benzyl-N-(3-methylbenzimidazol-5-yl)-1,2-oxazole-3-carboxamide
SMILESCn1cnc2ccc(NC(=O)c3cc(Cc4ccccc4)on3)cc21
InChIInChI=1S/C19H16N4O2/c1-23-12-20-16-8-7-14(10-18(16)23)21-19(24)17-11-15(25-22-17)9-13-5-3-2-4-6-13/h2-8,10-12H,9H2,1H3,(H,21,24)
InChIKeyKUDGOSPAYPXAPN-UHFFFAOYSA-N
XLogP3.40
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-N-(3-methylbenzimidazol-5-yl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-benzyl-N-(3-methylbenzimidazol-5-yl)-1,2-oxazole-3-carboxamide (CID 167913151) is 5-benzyl-N-(3-methylbenzimidazol-5-yl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-benzyl-N-(3-methylbenzimidazol-5-yl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-benzyl-N-(3-methylbenzimidazol-5-yl)-1,2-oxazole-3-carboxamide is Cn1cnc2ccc(NC(=O)c3cc(Cc4ccccc4)on3)cc21.
What is the InChIKey of 5-benzyl-N-(3-methylbenzimidazol-5-yl)-1,2-oxazole-3-carboxamide?
The InChIKey is KUDGOSPAYPXAPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2/c1-23-12-20-16-8-7-14(10-18(16)23)21-19(24)17-11-15(25-22-17)9-13-5-3-2-4-6-13/h2-8,10-12H,9H2,1H3,(H,21,24).
What are the key properties of 5-benzyl-N-(3-methylbenzimidazol-5-yl)-1,2-oxazole-3-carboxamide?
5-benzyl-N-(3-methylbenzimidazol-5-yl)-1,2-oxazole-3-carboxamide has a molecular weight of 332.36 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-N-(3-methylbenzimidazol-5-yl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 167913151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).