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

C16H13N3O2 — CID 22431714

IUPACN-benzyl-5-phenyl-1,3,4-oxadiazole-2-carboxamide
SMILESO=C(NCc1ccccc1)c1nnc(-c2ccccc2)o1
InChIInChI=1S/C16H13N3O2/c20-14(17-11-12-7-3-1-4-8-12)16-19-18-15(21-16)13-9-5-2-6-10-13/h1-10H,11H2,(H,17,20)
InChIKeyVALIGBIDFJQKHD-UHFFFAOYSA-N
MW279.30 g/mol
LogP2.67
Rot. Bonds4

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

N-benzyl-5-phenyl-1,3,4-oxadiazole-2-carboxamide (PubChem CID 22431714) has the molecular formula C16H13N3O2 and a molecular weight of 279.30 g/mol. Its IUPAC name is N-benzyl-5-phenyl-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-5-phenyl-1,3,4-oxadiazole-2-carboxamide
PubChem CID22431714
Molecular FormulaC16H13N3O2
Molecular Weight279.30 g/mol
Exact Mass279.10
IUPAC NameN-benzyl-5-phenyl-1,3,4-oxadiazole-2-carboxamide
SMILESO=C(NCc1ccccc1)c1nnc(-c2ccccc2)o1
InChIInChI=1S/C16H13N3O2/c20-14(17-11-12-7-3-1-4-8-12)16-19-18-15(21-16)13-9-5-2-6-10-13/h1-10H,11H2,(H,17,20)
InChIKeyVALIGBIDFJQKHD-UHFFFAOYSA-N
XLogP2.67
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 ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-phenyl-N-(pyridin-3-ylmethyl)-1,3,4-oxadiazole-2-carboxamide
CID 22431716
N-benzyl-5-(2-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110391670
2-phenyl-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethanone
CID 2461697
5-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide
CID 110392627
5-(3-fluorophenyl)-N-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxamide
CID 110392448
N-cyclopropyl-5-phenyl-1,3,4-oxadiazole-2-carboxamide
CID 22431746
N-[2-(4-methoxyphenoxy)ethyl]-5-phenyl-1,3,4-oxadiazole-2-carboxamide
CID 110390918
5-(benzenesulfonylmethyl)-N-benzyl-1,3,4-oxadiazole-2-carboxamide
CID 22431959
N-[3-(4-benzylpiperidin-1-yl)propyl]-5-phenyl-1,3,4-oxadiazole-2-carboxamide
CID 22431739
N-(2,6-difluorophenyl)-5-phenyl-1,3,4-oxadiazole-2-carboxamide
CID 110391030
N-[(1R)-2-(benzylamino)-2-oxo-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]benzamide
CID 95738661
N-benzyl-2-[4-[5-[4-[2-(benzylamino)-2-oxoethoxy]phenyl]-1,3,4-oxadiazol-2-yl]phenoxy]acetamide
CID 91356412

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-phenyl-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of N-benzyl-5-phenyl-1,3,4-oxadiazole-2-carboxamide (CID 22431714) is N-benzyl-5-phenyl-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for N-benzyl-5-phenyl-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for N-benzyl-5-phenyl-1,3,4-oxadiazole-2-carboxamide is O=C(NCc1ccccc1)c1nnc(-c2ccccc2)o1.
What is the InChIKey of N-benzyl-5-phenyl-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is VALIGBIDFJQKHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2/c20-14(17-11-12-7-3-1-4-8-12)16-19-18-15(21-16)13-9-5-2-6-10-13/h1-10H,11H2,(H,17,20).
What are the key properties of N-benzyl-5-phenyl-1,3,4-oxadiazole-2-carboxamide?
N-benzyl-5-phenyl-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 279.30 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-phenyl-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 22431714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).