5-phenyl-N-(2-pyridin-4-ylethyl)-1,3,4-oxadiazole-2-carboxamide

C16H14N4O2 — CID 155566837

IUPAC5-phenyl-N-(2-pyridin-4-ylethyl)-1,3,4-oxadiazole-2-carboxamide
SMILESO=C(NCCc1ccncc1)c1nnc(-c2ccccc2)o1
InChIInChI=1S/C16H14N4O2/c21-14(18-11-8-12-6-9-17-10-7-12)16-20-19-15(22-16)13-4-2-1-3-5-13/h1-7,9-10H,8,11H2,(H,18,21)
InChIKeyJFMQQRJYGJGBPC-UHFFFAOYSA-N
MW294.31 g/mol
LogP2.10
Rot. Bonds5

About 5-phenyl-N-(2-pyridin-4-ylethyl)-1,3,4-oxadiazole-2-carboxamide

5-phenyl-N-(2-pyridin-4-ylethyl)-1,3,4-oxadiazole-2-carboxamide (PubChem CID 155566837) has the molecular formula C16H14N4O2 and a molecular weight of 294.31 g/mol. Its IUPAC name is 5-phenyl-N-(2-pyridin-4-ylethyl)-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound Name5-phenyl-N-(2-pyridin-4-ylethyl)-1,3,4-oxadiazole-2-carboxamide
PubChem CID155566837
Molecular FormulaC16H14N4O2
Molecular Weight294.31 g/mol
Exact Mass294.11
IUPAC Name5-phenyl-N-(2-pyridin-4-ylethyl)-1,3,4-oxadiazole-2-carboxamide
SMILESO=C(NCCc1ccncc1)c1nnc(-c2ccccc2)o1
InChIInChI=1S/C16H14N4O2/c21-14(18-11-8-12-6-9-17-10-7-12)16-20-19-15(22-16)13-4-2-1-3-5-13/h1-7,9-10H,8,11H2,(H,18,21)
InChIKeyJFMQQRJYGJGBPC-UHFFFAOYSA-N
XLogP2.10
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-phenyl-N-(2-pyridin-4-ylethyl)-1,3,4-oxadiazole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-N-(2-pyridin-4-ylethyl)-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of 5-phenyl-N-(2-pyridin-4-ylethyl)-1,3,4-oxadiazole-2-carboxamide (CID 155566837) is 5-phenyl-N-(2-pyridin-4-ylethyl)-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for 5-phenyl-N-(2-pyridin-4-ylethyl)-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for 5-phenyl-N-(2-pyridin-4-ylethyl)-1,3,4-oxadiazole-2-carboxamide is O=C(NCCc1ccncc1)c1nnc(-c2ccccc2)o1.
What is the InChIKey of 5-phenyl-N-(2-pyridin-4-ylethyl)-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is JFMQQRJYGJGBPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2/c21-14(18-11-8-12-6-9-17-10-7-12)16-20-19-15(22-16)13-4-2-1-3-5-13/h1-7,9-10H,8,11H2,(H,18,21).
What are the key properties of 5-phenyl-N-(2-pyridin-4-ylethyl)-1,3,4-oxadiazole-2-carboxamide?
5-phenyl-N-(2-pyridin-4-ylethyl)-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 294.31 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-N-(2-pyridin-4-ylethyl)-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 155566837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).