5-benzyl-N-(1-phenylethyl)-1,3,4-oxadiazole-2-carboxamide

C18H17N3O2 — CID 110393199

IUPAC5-benzyl-N-(1-phenylethyl)-1,3,4-oxadiazole-2-carboxamide
SMILESCC(NC(=O)c1nnc(Cc2ccccc2)o1)c1ccccc1
InChIInChI=1S/C18H17N3O2/c1-13(15-10-6-3-7-11-15)19-17(22)18-21-20-16(23-18)12-14-8-4-2-5-9-14/h2-11,13H,12H2,1H3,(H,19,22)
InChIKeyYPDQNGWHQNHSEN-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.15
Rot. Bonds5

About 5-benzyl-N-(1-phenylethyl)-1,3,4-oxadiazole-2-carboxamide

5-benzyl-N-(1-phenylethyl)-1,3,4-oxadiazole-2-carboxamide (PubChem CID 110393199) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is 5-benzyl-N-(1-phenylethyl)-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound Name5-benzyl-N-(1-phenylethyl)-1,3,4-oxadiazole-2-carboxamide
PubChem CID110393199
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Name5-benzyl-N-(1-phenylethyl)-1,3,4-oxadiazole-2-carboxamide
SMILESCC(NC(=O)c1nnc(Cc2ccccc2)o1)c1ccccc1
InChIInChI=1S/C18H17N3O2/c1-13(15-10-6-3-7-11-15)19-17(22)18-21-20-16(23-18)12-14-8-4-2-5-9-14/h2-11,13H,12H2,1H3,(H,19,22)
InChIKeyYPDQNGWHQNHSEN-UHFFFAOYSA-N
XLogP3.15
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(1-phenylethyl)acetamide
CID 2941372
5-benzyl-N-butyl-1,3,4-oxadiazole-2-carboxamide
CID 110393174
5-benzyl-N-(2-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110393297
5-(1,3-benzodioxol-5-ylmethyl)-N-(2-phenylpropyl)-1,3,4-oxadiazole-2-carboxamide
CID 22431907
5-methyl-N-[(1S)-1-phenylethyl]furan-2-carboxamide
CID 844051
5-benzyl-N-quinolin-8-yl-1,3,4-oxadiazole-2-carboxamide
CID 110393337
2-[[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1-phenylethyl)acetamide
CID 102629870
5-benzyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-1,3,4-oxadiazole-2-carboxamide
CID 110393326
5-amino-N-(1-phenylethyl)furan-2-carboxamide
CID 82344125
N,5-bis[(4-methylphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide
CID 22432031
dilithium;1-(5-benzyl-1,3,4-oxadiazol-2-yl)ethanone;(5-benzyl-1,3,4-oxadiazol-2-yl)methanone;methanol;dihydroxide;hydrate
CID 158124907
N-[(1S)-1-phenylethyl]-2H-tetrazole-5-carboxamide
CID 107864140

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-N-(1-phenylethyl)-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of 5-benzyl-N-(1-phenylethyl)-1,3,4-oxadiazole-2-carboxamide (CID 110393199) is 5-benzyl-N-(1-phenylethyl)-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for 5-benzyl-N-(1-phenylethyl)-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for 5-benzyl-N-(1-phenylethyl)-1,3,4-oxadiazole-2-carboxamide is CC(NC(=O)c1nnc(Cc2ccccc2)o1)c1ccccc1.
What is the InChIKey of 5-benzyl-N-(1-phenylethyl)-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is YPDQNGWHQNHSEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-13(15-10-6-3-7-11-15)19-17(22)18-21-20-16(23-18)12-14-8-4-2-5-9-14/h2-11,13H,12H2,1H3,(H,19,22).
What are the key properties of 5-benzyl-N-(1-phenylethyl)-1,3,4-oxadiazole-2-carboxamide?
5-benzyl-N-(1-phenylethyl)-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 307.35 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-N-(1-phenylethyl)-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 110393199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).