5-(5-cyano-1H-pyrrol-2-yl)-1,2,4-oxadiazole-3-carboxamide

C8H5N5O2 — CID 136771154

IUPAC5-(5-cyano-1H-pyrrol-2-yl)-1,2,4-oxadiazole-3-carboxamide
SMILESN#Cc1ccc(-c2nc(C(N)=O)no2)[nH]1
InChIInChI=1S/C8H5N5O2/c9-3-4-1-2-5(11-4)8-12-7(6(10)14)13-15-8/h1-2,11H,(H2,10,14)
InChIKeyBHVNVSONIZJNCO-UHFFFAOYSA-N
MW203.16 g/mol
LogP0.04
Rot. Bonds2

About 5-(5-cyano-1H-pyrrol-2-yl)-1,2,4-oxadiazole-3-carboxamide

5-(5-cyano-1H-pyrrol-2-yl)-1,2,4-oxadiazole-3-carboxamide (PubChem CID 136771154) has the molecular formula C8H5N5O2 and a molecular weight of 203.16 g/mol. Its IUPAC name is 5-(5-cyano-1H-pyrrol-2-yl)-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name5-(5-cyano-1H-pyrrol-2-yl)-1,2,4-oxadiazole-3-carboxamide
PubChem CID136771154
Molecular FormulaC8H5N5O2
Molecular Weight203.16 g/mol
Exact Mass203.04
IUPAC Name5-(5-cyano-1H-pyrrol-2-yl)-1,2,4-oxadiazole-3-carboxamide
SMILESN#Cc1ccc(-c2nc(C(N)=O)no2)[nH]1
InChIInChI=1S/C8H5N5O2/c9-3-4-1-2-5(11-4)8-12-7(6(10)14)13-15-8/h1-2,11H,(H2,10,14)
InChIKeyBHVNVSONIZJNCO-UHFFFAOYSA-N
XLogP0.04
TPSA121.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.16
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3-amino-1,2,4-oxadiazol-5-yl)-1H-pyrrole-2-carbonitrile
CID 136770759
5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1H-pyrrole-2-carbonitrile
CID 136683202
5-(3-cyanothiophen-2-yl)-1,2,4-oxadiazole-3-carboxamide
CID 106527841
5-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-1H-pyrrole-2-carbonitrile
CID 136905952
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-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-1H-pyrrole-2-carbonitrile
CID 136683214
5-(3-benzyl-1,2,4-oxadiazol-5-yl)-1H-pyrrole-2-carbonitrile
CID 136683187
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-(2-chlorophenyl)-1,2,4-oxadiazole-3-carboxamide
CID 126666922

Frequently Asked Questions

What is the IUPAC name of 5-(5-cyano-1H-pyrrol-2-yl)-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of 5-(5-cyano-1H-pyrrol-2-yl)-1,2,4-oxadiazole-3-carboxamide (CID 136771154) is 5-(5-cyano-1H-pyrrol-2-yl)-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for 5-(5-cyano-1H-pyrrol-2-yl)-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for 5-(5-cyano-1H-pyrrol-2-yl)-1,2,4-oxadiazole-3-carboxamide is N#Cc1ccc(-c2nc(C(N)=O)no2)[nH]1.
What is the InChIKey of 5-(5-cyano-1H-pyrrol-2-yl)-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is BHVNVSONIZJNCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5N5O2/c9-3-4-1-2-5(11-4)8-12-7(6(10)14)13-15-8/h1-2,11H,(H2,10,14).
What are the key properties of 5-(5-cyano-1H-pyrrol-2-yl)-1,2,4-oxadiazole-3-carboxamide?
5-(5-cyano-1H-pyrrol-2-yl)-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 203.16 g/mol, XLogP of 0.04, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-cyano-1H-pyrrol-2-yl)-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 136771154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).