5-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]thiophene-2-carbonitrile

C13H8N4OS — CID 104676908

IUPAC5-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]thiophene-2-carbonitrile
SMILESCc1ccnc(-c2noc(-c3ccc(C#N)s3)n2)c1
InChIInChI=1S/C13H8N4OS/c1-8-4-5-15-10(6-8)12-16-13(18-17-12)11-3-2-9(7-14)19-11/h2-6H,1H3
InChIKeyDOEVYRYWJCGWTE-UHFFFAOYSA-N
MW268.30 g/mol
LogP3.04
Rot. Bonds2

About 5-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]thiophene-2-carbonitrile

5-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]thiophene-2-carbonitrile (PubChem CID 104676908) has the molecular formula C13H8N4OS and a molecular weight of 268.30 g/mol. Its IUPAC name is 5-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]thiophene-2-carbonitrile.

Molecular Properties

Compound Name5-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]thiophene-2-carbonitrile
PubChem CID104676908
Molecular FormulaC13H8N4OS
Molecular Weight268.30 g/mol
Exact Mass268.04
IUPAC Name5-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]thiophene-2-carbonitrile
SMILESCc1ccnc(-c2noc(-c3ccc(C#N)s3)n2)c1
InChIInChI=1S/C13H8N4OS/c1-8-4-5-15-10(6-8)12-16-13(18-17-12)11-3-2-9(7-14)19-11/h2-6H,1H3
InChIKeyDOEVYRYWJCGWTE-UHFFFAOYSA-N
XLogP3.04
TPSA75.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.30
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]thiophene-2-carbonitrile?
The IUPAC name of 5-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]thiophene-2-carbonitrile (CID 104676908) is 5-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]thiophene-2-carbonitrile.
What is the SMILES notation for 5-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]thiophene-2-carbonitrile?
The canonical SMILES for 5-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]thiophene-2-carbonitrile is Cc1ccnc(-c2noc(-c3ccc(C#N)s3)n2)c1.
What is the InChIKey of 5-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]thiophene-2-carbonitrile?
The InChIKey is DOEVYRYWJCGWTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8N4OS/c1-8-4-5-15-10(6-8)12-16-13(18-17-12)11-3-2-9(7-14)19-11/h2-6H,1H3.
What are the key properties of 5-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]thiophene-2-carbonitrile?
5-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]thiophene-2-carbonitrile has a molecular weight of 268.30 g/mol, XLogP of 3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]thiophene-2-carbonitrile is sourced from PubChem (CID 104676908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).