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

C18H14N4O2 — CID 110393519

IUPACN-(2-cyanophenyl)-5-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxamide
SMILESN#Cc1ccccc1NC(=O)c1nnc(CCc2ccccc2)o1
InChIInChI=1S/C18H14N4O2/c19-12-14-8-4-5-9-15(14)20-17(23)18-22-21-16(24-18)11-10-13-6-2-1-3-7-13/h1-9H,10-11H2,(H,20,23)
InChIKeyNYRDYFUWILAPNK-UHFFFAOYSA-N
MW318.34 g/mol
LogP2.98
Rot. Bonds5

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

N-(2-cyanophenyl)-5-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxamide (PubChem CID 110393519) has the molecular formula C18H14N4O2 and a molecular weight of 318.34 g/mol. Its IUPAC name is N-(2-cyanophenyl)-5-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-5-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxamide
PubChem CID110393519
Molecular FormulaC18H14N4O2
Molecular Weight318.34 g/mol
Exact Mass318.11
IUPAC NameN-(2-cyanophenyl)-5-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxamide
SMILESN#Cc1ccccc1NC(=O)c1nnc(CCc2ccccc2)o1
InChIInChI=1S/C18H14N4O2/c19-12-14-8-4-5-9-15(14)20-17(23)18-22-21-16(24-18)11-10-13-6-2-1-3-7-13/h1-9H,10-11H2,(H,20,23)
InChIKeyNYRDYFUWILAPNK-UHFFFAOYSA-N
XLogP2.98
TPSA91.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-chlorophenyl)-5-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxamide
CID 110393467
N-(2-cyanophenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 109259614
5-(2-phenylethyl)-N-prop-2-enyl-1,3,4-oxadiazole-2-carboxamide
CID 110393366
N-(2-cyanophenyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110392213
5-benzyl-N-(2-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110393297
N-pentyl-5-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxamide
CID 110393441
N-[3-(dimethylamino)propyl]-5-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxamide
CID 110393382
(2-cyanophenyl)urea
CID 13155570
3-[(2-cyanophenyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369142
N-(2-cyanophenyl)-3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110334108
N-(2-cyanophenyl)-6-methyl-2-(2-phenylethylamino)pyrimidine-4-carboxamide
CID 109330431
1-benzyl-N-(2-cyanophenyl)-6-oxopyridazine-3-carboxamide
CID 121067000

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-5-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of N-(2-cyanophenyl)-5-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxamide (CID 110393519) is N-(2-cyanophenyl)-5-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for N-(2-cyanophenyl)-5-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for N-(2-cyanophenyl)-5-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxamide is N#Cc1ccccc1NC(=O)c1nnc(CCc2ccccc2)o1.
What is the InChIKey of N-(2-cyanophenyl)-5-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is NYRDYFUWILAPNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O2/c19-12-14-8-4-5-9-15(14)20-17(23)18-22-21-16(24-18)11-10-13-6-2-1-3-7-13/h1-9H,10-11H2,(H,20,23).
What are the key properties of N-(2-cyanophenyl)-5-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxamide?
N-(2-cyanophenyl)-5-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 318.34 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-5-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 110393519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).