1-methyl-5-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrole-3-carbonitrile

C13H9N5O — CID 103739760

IUPAC1-methyl-5-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrole-3-carbonitrile
SMILESCn1cc(C#N)cc1-c1nc(-c2ccccn2)no1
InChIInChI=1S/C13H9N5O/c1-18-8-9(7-14)6-11(18)13-16-12(17-19-13)10-4-2-3-5-15-10/h2-6,8H,1H3
InChIKeyDLFFGYCDNRFYIB-UHFFFAOYSA-N
MW251.25 g/mol
LogP2.01
Rot. Bonds2

About 1-methyl-5-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrole-3-carbonitrile

1-methyl-5-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrole-3-carbonitrile (PubChem CID 103739760) has the molecular formula C13H9N5O and a molecular weight of 251.25 g/mol. Its IUPAC name is 1-methyl-5-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrole-3-carbonitrile.

Molecular Properties

Compound Name1-methyl-5-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrole-3-carbonitrile
PubChem CID103739760
Molecular FormulaC13H9N5O
Molecular Weight251.25 g/mol
Exact Mass251.08
IUPAC Name1-methyl-5-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrole-3-carbonitrile
SMILESCn1cc(C#N)cc1-c1nc(-c2ccccn2)no1
InChIInChI=1S/C13H9N5O/c1-18-8-9(7-14)6-11(18)13-16-12(17-19-13)10-4-2-3-5-15-10/h2-6,8H,1H3
InChIKeyDLFFGYCDNRFYIB-UHFFFAOYSA-N
XLogP2.01
TPSA80.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.25
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrole-3-carbonitrile?
The IUPAC name of 1-methyl-5-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrole-3-carbonitrile (CID 103739760) is 1-methyl-5-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrole-3-carbonitrile.
What is the SMILES notation for 1-methyl-5-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrole-3-carbonitrile?
The canonical SMILES for 1-methyl-5-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrole-3-carbonitrile is Cn1cc(C#N)cc1-c1nc(-c2ccccn2)no1.
What is the InChIKey of 1-methyl-5-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrole-3-carbonitrile?
The InChIKey is DLFFGYCDNRFYIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N5O/c1-18-8-9(7-14)6-11(18)13-16-12(17-19-13)10-4-2-3-5-15-10/h2-6,8H,1H3.
What are the key properties of 1-methyl-5-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrole-3-carbonitrile?
1-methyl-5-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrole-3-carbonitrile has a molecular weight of 251.25 g/mol, XLogP of 2.01, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrole-3-carbonitrile is sourced from PubChem (CID 103739760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).