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

C7H5N5O — CID 136770759

IUPAC5-(3-amino-1,2,4-oxadiazol-5-yl)-1H-pyrrole-2-carbonitrile
SMILESN#Cc1ccc(-c2nc(N)no2)[nH]1
InChIInChI=1S/C7H5N5O/c8-3-4-1-2-5(10-4)6-11-7(9)12-13-6/h1-2,10H,(H2,9,12)
InChIKeyNSNKULOAZOLSCD-UHFFFAOYSA-N
MW175.15 g/mol
LogP0.52
Rot. Bonds1

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

5-(3-amino-1,2,4-oxadiazol-5-yl)-1H-pyrrole-2-carbonitrile (PubChem CID 136770759) has the molecular formula C7H5N5O and a molecular weight of 175.15 g/mol. Its IUPAC name is 5-(3-amino-1,2,4-oxadiazol-5-yl)-1H-pyrrole-2-carbonitrile.

Molecular Properties

Compound Name5-(3-amino-1,2,4-oxadiazol-5-yl)-1H-pyrrole-2-carbonitrile
PubChem CID136770759
Molecular FormulaC7H5N5O
Molecular Weight175.15 g/mol
Exact Mass175.05
IUPAC Name5-(3-amino-1,2,4-oxadiazol-5-yl)-1H-pyrrole-2-carbonitrile
SMILESN#Cc1ccc(-c2nc(N)no2)[nH]1
InChIInChI=1S/C7H5N5O/c8-3-4-1-2-5(10-4)6-11-7(9)12-13-6/h1-2,10H,(H2,9,12)
InChIKeyNSNKULOAZOLSCD-UHFFFAOYSA-N
XLogP0.52
TPSA104.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.15
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(5-cyano-1H-pyrrol-2-yl)-1,2,4-oxadiazole-3-carboxamide
CID 136771154
5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1H-pyrrole-2-carbonitrile
CID 136683202
5-[3-(3,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]-1H-pyrrole-2-carbonitrile
CID 136700976
5-(3-benzyl-1,2,4-oxadiazol-5-yl)-1H-pyrrole-2-carbonitrile
CID 136683187
5-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-1H-pyrrole-2-carbonitrile
CID 136683214
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
5-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-1H-pyrrole-2-carbonitrile
CID 136770746
5-[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]-1H-pyrrole-2-carbonitrile
CID 136683189
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-amino-1,2,4-oxadiazol-5-yl)-1H-pyrrole-2-carbonitrile?
The IUPAC name of 5-(3-amino-1,2,4-oxadiazol-5-yl)-1H-pyrrole-2-carbonitrile (CID 136770759) is 5-(3-amino-1,2,4-oxadiazol-5-yl)-1H-pyrrole-2-carbonitrile.
What is the SMILES notation for 5-(3-amino-1,2,4-oxadiazol-5-yl)-1H-pyrrole-2-carbonitrile?
The canonical SMILES for 5-(3-amino-1,2,4-oxadiazol-5-yl)-1H-pyrrole-2-carbonitrile is N#Cc1ccc(-c2nc(N)no2)[nH]1.
What is the InChIKey of 5-(3-amino-1,2,4-oxadiazol-5-yl)-1H-pyrrole-2-carbonitrile?
The InChIKey is NSNKULOAZOLSCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N5O/c8-3-4-1-2-5(10-4)6-11-7(9)12-13-6/h1-2,10H,(H2,9,12).
What are the key properties of 5-(3-amino-1,2,4-oxadiazol-5-yl)-1H-pyrrole-2-carbonitrile?
5-(3-amino-1,2,4-oxadiazol-5-yl)-1H-pyrrole-2-carbonitrile has a molecular weight of 175.15 g/mol, XLogP of 0.52, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-amino-1,2,4-oxadiazol-5-yl)-1H-pyrrole-2-carbonitrile is sourced from PubChem (CID 136770759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).