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

C12H13N5O — CID 136771054

IUPAC4-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)-1H-pyrrole-2-carbonitrile
SMILESN#Cc1cc(-c2nc(N3CCCCC3)no2)c[nH]1
InChIInChI=1S/C12H13N5O/c13-7-10-6-9(8-14-10)11-15-12(16-18-11)17-4-2-1-3-5-17/h6,8,14H,1-5H2
InChIKeyHCIUJEJBGDDERW-UHFFFAOYSA-N
MW243.27 g/mol
LogP1.93
Rot. Bonds2

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

4-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)-1H-pyrrole-2-carbonitrile (PubChem CID 136771054) has the molecular formula C12H13N5O and a molecular weight of 243.27 g/mol. Its IUPAC name is 4-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)-1H-pyrrole-2-carbonitrile.

Molecular Properties

Compound Name4-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)-1H-pyrrole-2-carbonitrile
PubChem CID136771054
Molecular FormulaC12H13N5O
Molecular Weight243.27 g/mol
Exact Mass243.11
IUPAC Name4-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)-1H-pyrrole-2-carbonitrile
SMILESN#Cc1cc(-c2nc(N3CCCCC3)no2)c[nH]1
InChIInChI=1S/C12H13N5O/c13-7-10-6-9(8-14-10)11-15-12(16-18-11)17-4-2-1-3-5-17/h6,8,14H,1-5H2
InChIKeyHCIUJEJBGDDERW-UHFFFAOYSA-N
XLogP1.93
TPSA81.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)benzonitrile
CID 10037288
4-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]-1H-pyrrole-2-carbonitrile
CID 136782415
4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-1H-pyrrole-2-carbonitrile
CID 136908045
4-(3-benzyl-1,2,4-oxadiazol-5-yl)-1H-pyrrole-2-carbonitrile
CID 136782420
5-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]-2-bromoaniline
CID 107813852
5-(2,3-dihydro-1H-isoindol-5-yl)-3-pyrrolidin-1-yl-1,2,4-oxadiazole
CID 116806663
4-[3-(4-fluoro-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1H-pyrrole-2-carbonitrile
CID 136700997
4-[3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]-1H-pyrrole-2-carbonitrile
CID 136770953
2-fluoro-6-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)benzonitrile
CID 106527582
4-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]benzonitrile
CID 106527061
4-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine
CID 116808037
2-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]-4,6-dibromoaniline
CID 116808043

Frequently Asked Questions

What is the IUPAC name of 4-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)-1H-pyrrole-2-carbonitrile?
The IUPAC name of 4-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)-1H-pyrrole-2-carbonitrile (CID 136771054) is 4-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)-1H-pyrrole-2-carbonitrile.
What is the SMILES notation for 4-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)-1H-pyrrole-2-carbonitrile?
The canonical SMILES for 4-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)-1H-pyrrole-2-carbonitrile is N#Cc1cc(-c2nc(N3CCCCC3)no2)c[nH]1.
What is the InChIKey of 4-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)-1H-pyrrole-2-carbonitrile?
The InChIKey is HCIUJEJBGDDERW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O/c13-7-10-6-9(8-14-10)11-15-12(16-18-11)17-4-2-1-3-5-17/h6,8,14H,1-5H2.
What are the key properties of 4-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)-1H-pyrrole-2-carbonitrile?
4-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)-1H-pyrrole-2-carbonitrile has a molecular weight of 243.27 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)-1H-pyrrole-2-carbonitrile is sourced from PubChem (CID 136771054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).