5-(3-phenyl-1,2,4-oxadiazol-5-yl)-1H-pyrrole-3-carbonitrile

C13H8N4O — CID 137015001

IUPAC5-(3-phenyl-1,2,4-oxadiazol-5-yl)-1H-pyrrole-3-carbonitrile
SMILESN#Cc1c[nH]c(-c2nc(-c3ccccc3)no2)c1
InChIInChI=1S/C13H8N4O/c14-7-9-6-11(15-8-9)13-16-12(17-18-13)10-4-2-1-3-5-10/h1-6,8,15H
InChIKeyXLQKKCORXVTKJM-UHFFFAOYSA-N
MW236.23 g/mol
LogP2.60
Rot. Bonds2

About 5-(3-phenyl-1,2,4-oxadiazol-5-yl)-1H-pyrrole-3-carbonitrile

5-(3-phenyl-1,2,4-oxadiazol-5-yl)-1H-pyrrole-3-carbonitrile (PubChem CID 137015001) has the molecular formula C13H8N4O and a molecular weight of 236.23 g/mol. Its IUPAC name is 5-(3-phenyl-1,2,4-oxadiazol-5-yl)-1H-pyrrole-3-carbonitrile.

Molecular Properties

Compound Name5-(3-phenyl-1,2,4-oxadiazol-5-yl)-1H-pyrrole-3-carbonitrile
PubChem CID137015001
Molecular FormulaC13H8N4O
Molecular Weight236.23 g/mol
Exact Mass236.07
IUPAC Name5-(3-phenyl-1,2,4-oxadiazol-5-yl)-1H-pyrrole-3-carbonitrile
SMILESN#Cc1c[nH]c(-c2nc(-c3ccccc3)no2)c1
InChIInChI=1S/C13H8N4O/c14-7-9-6-11(15-8-9)13-16-12(17-18-13)10-4-2-1-3-5-10/h1-6,8,15H
InChIKeyXLQKKCORXVTKJM-UHFFFAOYSA-N
XLogP2.60
TPSA78.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(3-phenyl-1,2,4-oxadiazol-5-yl)-1H-pyrrole-3-carbonitrile with MolForge

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

Launch Full Analysis

Related Compounds

5-[3-(4-hydroxy-3,5-dimethylphenyl)-1,2,4-oxadiazol-5-yl]-1H-pyrrole-3-carbonitrile
CID 136770720
5-[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]-1H-pyrrole-3-carbonitrile
CID 137015006
3-methyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)benzonitrile
CID 103827436
5-[3-[(4-bromophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]-1H-pyrrole-3-carbonitrile
CID 136908028
5-[3-(propan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-1H-pyrrole-3-carbonitrile
CID 136955791
5-[3-(3,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]-1H-pyrrole-2-carbonitrile
CID 136700976
5-[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]-1H-pyrrole-2-carbonitrile
CID 136683189
5-(3-naphthalen-2-yl-1H-pyrazol-5-yl)-3-phenyl-1,2,4-oxadiazole
CID 20941125
2-(3-phenyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-ol
CID 135894697
5-[3-(5-bromo-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-1H-pyrrole-2-carbonitrile
CID 136700949
5-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]-1H-pyrrole-3-carbonitrile
CID 136908918
5-[3-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,2,4-oxadiazol-5-yl]-1H-pyrrole-3-carbonitrile
CID 136770765

Frequently Asked Questions

What is the IUPAC name of 5-(3-phenyl-1,2,4-oxadiazol-5-yl)-1H-pyrrole-3-carbonitrile?
The IUPAC name of 5-(3-phenyl-1,2,4-oxadiazol-5-yl)-1H-pyrrole-3-carbonitrile (CID 137015001) is 5-(3-phenyl-1,2,4-oxadiazol-5-yl)-1H-pyrrole-3-carbonitrile.
What is the SMILES notation for 5-(3-phenyl-1,2,4-oxadiazol-5-yl)-1H-pyrrole-3-carbonitrile?
The canonical SMILES for 5-(3-phenyl-1,2,4-oxadiazol-5-yl)-1H-pyrrole-3-carbonitrile is N#Cc1c[nH]c(-c2nc(-c3ccccc3)no2)c1.
What is the InChIKey of 5-(3-phenyl-1,2,4-oxadiazol-5-yl)-1H-pyrrole-3-carbonitrile?
The InChIKey is XLQKKCORXVTKJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8N4O/c14-7-9-6-11(15-8-9)13-16-12(17-18-13)10-4-2-1-3-5-10/h1-6,8,15H.
What are the key properties of 5-(3-phenyl-1,2,4-oxadiazol-5-yl)-1H-pyrrole-3-carbonitrile?
5-(3-phenyl-1,2,4-oxadiazol-5-yl)-1H-pyrrole-3-carbonitrile has a molecular weight of 236.23 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-phenyl-1,2,4-oxadiazol-5-yl)-1H-pyrrole-3-carbonitrile is sourced from PubChem (CID 137015001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).