5-benzyl-N-phenyl-1,3,4-oxadiazole-2-carboxamide

C16H13N3O2 — CID 110393260

IUPAC5-benzyl-N-phenyl-1,3,4-oxadiazole-2-carboxamide
SMILESO=C(Nc1ccccc1)c1nnc(Cc2ccccc2)o1
InChIInChI=1S/C16H13N3O2/c20-15(17-13-9-5-2-6-10-13)16-19-18-14(21-16)11-12-7-3-1-4-8-12/h1-10H,11H2,(H,17,20)
InChIKeyXPQRRWHVUBTWGG-UHFFFAOYSA-N
MW279.30 g/mol
LogP2.91
Rot. Bonds4

About 5-benzyl-N-phenyl-1,3,4-oxadiazole-2-carboxamide

5-benzyl-N-phenyl-1,3,4-oxadiazole-2-carboxamide (PubChem CID 110393260) has the molecular formula C16H13N3O2 and a molecular weight of 279.30 g/mol. Its IUPAC name is 5-benzyl-N-phenyl-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound Name5-benzyl-N-phenyl-1,3,4-oxadiazole-2-carboxamide
PubChem CID110393260
Molecular FormulaC16H13N3O2
Molecular Weight279.30 g/mol
Exact Mass279.10
IUPAC Name5-benzyl-N-phenyl-1,3,4-oxadiazole-2-carboxamide
SMILESO=C(Nc1ccccc1)c1nnc(Cc2ccccc2)o1
InChIInChI=1S/C16H13N3O2/c20-15(17-13-9-5-2-6-10-13)16-19-18-14(21-16)11-12-7-3-1-4-8-12/h1-10H,11H2,(H,17,20)
InChIKeyXPQRRWHVUBTWGG-UHFFFAOYSA-N
XLogP2.91
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-N-phenyl-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of 5-benzyl-N-phenyl-1,3,4-oxadiazole-2-carboxamide (CID 110393260) is 5-benzyl-N-phenyl-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for 5-benzyl-N-phenyl-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for 5-benzyl-N-phenyl-1,3,4-oxadiazole-2-carboxamide is O=C(Nc1ccccc1)c1nnc(Cc2ccccc2)o1.
What is the InChIKey of 5-benzyl-N-phenyl-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is XPQRRWHVUBTWGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2/c20-15(17-13-9-5-2-6-10-13)16-19-18-14(21-16)11-12-7-3-1-4-8-12/h1-10H,11H2,(H,17,20).
What are the key properties of 5-benzyl-N-phenyl-1,3,4-oxadiazole-2-carboxamide?
5-benzyl-N-phenyl-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 279.30 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-N-phenyl-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 110393260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).