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

C11H6N6O — CID 136770934

IUPAC5-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)-1H-pyrrole-2-carbonitrile
SMILESN#Cc1ccc(-c2nc(-c3ccncn3)no2)[nH]1
InChIInChI=1S/C11H6N6O/c12-5-7-1-2-9(15-7)11-16-10(17-18-11)8-3-4-13-6-14-8/h1-4,6,15H
InChIKeyXABQSTLBXPWEPI-UHFFFAOYSA-N
MW238.21 g/mol
LogP1.39
Rot. Bonds2

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

5-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)-1H-pyrrole-2-carbonitrile (PubChem CID 136770934) has the molecular formula C11H6N6O and a molecular weight of 238.21 g/mol. Its IUPAC name is 5-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)-1H-pyrrole-2-carbonitrile.

Molecular Properties

Compound Name5-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)-1H-pyrrole-2-carbonitrile
PubChem CID136770934
Molecular FormulaC11H6N6O
Molecular Weight238.21 g/mol
Exact Mass238.06
IUPAC Name5-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)-1H-pyrrole-2-carbonitrile
SMILESN#Cc1ccc(-c2nc(-c3ccncn3)no2)[nH]1
InChIInChI=1S/C11H6N6O/c12-5-7-1-2-9(15-7)11-16-10(17-18-11)8-3-4-13-6-14-8/h1-4,6,15H
InChIKeyXABQSTLBXPWEPI-UHFFFAOYSA-N
XLogP1.39
TPSA104.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.21
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-fluoro-6-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)benzonitrile
CID 106526414
2-[2-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)phenyl]acetonitrile
CID 106526421
5-[3-(3,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]-1H-pyrrole-2-carbonitrile
CID 136700976
5-(3-amino-1,2,4-oxadiazol-5-yl)-1H-pyrrole-2-carbonitrile
CID 136770759
5-[3-(5-bromo-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-1H-pyrrole-2-carbonitrile
CID 136700949
5-[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]-1H-pyrrole-2-carbonitrile
CID 136683189
5-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)benzene-1,3-diol
CID 107706890
4-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-amine
CID 113329157
5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1H-pyrrole-2-carbonitrile
CID 136683202
N-methyl-4-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)aniline
CID 104698928
5-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-1H-pyrrole-2-carbonitrile
CID 136683214
5-[3-(4-methylthiophen-3-yl)-1,2,4-oxadiazol-5-yl]-1H-pyrrole-2-carbonitrile
CID 136955805

Frequently Asked Questions

What is the IUPAC name of 5-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)-1H-pyrrole-2-carbonitrile?
The IUPAC name of 5-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)-1H-pyrrole-2-carbonitrile (CID 136770934) is 5-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)-1H-pyrrole-2-carbonitrile.
What is the SMILES notation for 5-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)-1H-pyrrole-2-carbonitrile?
The canonical SMILES for 5-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)-1H-pyrrole-2-carbonitrile is N#Cc1ccc(-c2nc(-c3ccncn3)no2)[nH]1.
What is the InChIKey of 5-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)-1H-pyrrole-2-carbonitrile?
The InChIKey is XABQSTLBXPWEPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6N6O/c12-5-7-1-2-9(15-7)11-16-10(17-18-11)8-3-4-13-6-14-8/h1-4,6,15H.
What are the key properties of 5-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)-1H-pyrrole-2-carbonitrile?
5-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)-1H-pyrrole-2-carbonitrile has a molecular weight of 238.21 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)-1H-pyrrole-2-carbonitrile is sourced from PubChem (CID 136770934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).