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

C10H8N4O — CID 136683202

IUPAC5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1H-pyrrole-2-carbonitrile
SMILESN#Cc1ccc(-c2nc(C3CC3)no2)[nH]1
InChIInChI=1S/C10H8N4O/c11-5-7-3-4-8(12-7)10-13-9(14-15-10)6-1-2-6/h3-4,6,12H,1-2H2
InChIKeyDGAPIVNHQYWYFG-UHFFFAOYSA-N
MW200.20 g/mol
LogP1.81
Rot. Bonds2

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

5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1H-pyrrole-2-carbonitrile (PubChem CID 136683202) has the molecular formula C10H8N4O and a molecular weight of 200.20 g/mol. Its IUPAC name is 5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1H-pyrrole-2-carbonitrile.

Molecular Properties

Compound Name5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1H-pyrrole-2-carbonitrile
PubChem CID136683202
Molecular FormulaC10H8N4O
Molecular Weight200.20 g/mol
Exact Mass200.07
IUPAC Name5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1H-pyrrole-2-carbonitrile
SMILESN#Cc1ccc(-c2nc(C3CC3)no2)[nH]1
InChIInChI=1S/C10H8N4O/c11-5-7-3-4-8(12-7)10-13-9(14-15-10)6-1-2-6/h3-4,6,12H,1-2H2
InChIKeyDGAPIVNHQYWYFG-UHFFFAOYSA-N
XLogP1.81
TPSA78.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.20
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-1H-pyrrole-2-carbonitrile
CID 136770746
5-[3-(thian-2-yl)-1,2,4-oxadiazol-5-yl]-1H-pyrrole-2-carbonitrile
CID 136964416
5-[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-1H-pyrrole-2-carbonitrile
CID 136770740
5-(3-amino-1,2,4-oxadiazol-5-yl)-1H-pyrrole-2-carbonitrile
CID 136770759
5-[3-(3,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]-1H-pyrrole-2-carbonitrile
CID 136700976
5-[3-[(2,6-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-1H-pyrrole-2-carbonitrile
CID 136908026
5-[3-(4-methylthiophen-3-yl)-1,2,4-oxadiazol-5-yl]-1H-pyrrole-2-carbonitrile
CID 136955805
5-(3-benzyl-1,2,4-oxadiazol-5-yl)-1H-pyrrole-2-carbonitrile
CID 136683187
5-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-1H-pyrrole-2-carbonitrile
CID 136905952
5-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-1H-pyrrole-2-carbonitrile
CID 136683234
5-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)-1H-pyrrole-2-carbonitrile
CID 136770934
5-[3-(5-bromo-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-1H-pyrrole-2-carbonitrile
CID 136700949

Frequently Asked Questions

What is the IUPAC name of 5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1H-pyrrole-2-carbonitrile?
The IUPAC name of 5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1H-pyrrole-2-carbonitrile (CID 136683202) is 5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1H-pyrrole-2-carbonitrile.
What is the SMILES notation for 5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1H-pyrrole-2-carbonitrile?
The canonical SMILES for 5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1H-pyrrole-2-carbonitrile is N#Cc1ccc(-c2nc(C3CC3)no2)[nH]1.
What is the InChIKey of 5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1H-pyrrole-2-carbonitrile?
The InChIKey is DGAPIVNHQYWYFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4O/c11-5-7-3-4-8(12-7)10-13-9(14-15-10)6-1-2-6/h3-4,6,12H,1-2H2.
What are the key properties of 5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1H-pyrrole-2-carbonitrile?
5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1H-pyrrole-2-carbonitrile has a molecular weight of 200.20 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1H-pyrrole-2-carbonitrile is sourced from PubChem (CID 136683202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).