5-(3-butyl-1,2,4-oxadiazol-5-yl)thiophene-2-carbonitrile

C11H11N3OS — CID 103734562

IUPAC5-(3-butyl-1,2,4-oxadiazol-5-yl)thiophene-2-carbonitrile
SMILESCCCCc1noc(-c2ccc(C#N)s2)n1
InChIInChI=1S/C11H11N3OS/c1-2-3-4-10-13-11(15-14-10)9-6-5-8(7-12)16-9/h5-6H,2-4H2,1H3
InChIKeyMAXIMDFAEPNYCM-UHFFFAOYSA-N
MW233.30 g/mol
LogP3.01
Rot. Bonds4

About 5-(3-butyl-1,2,4-oxadiazol-5-yl)thiophene-2-carbonitrile

5-(3-butyl-1,2,4-oxadiazol-5-yl)thiophene-2-carbonitrile (PubChem CID 103734562) has the molecular formula C11H11N3OS and a molecular weight of 233.30 g/mol. Its IUPAC name is 5-(3-butyl-1,2,4-oxadiazol-5-yl)thiophene-2-carbonitrile.

Molecular Properties

Compound Name5-(3-butyl-1,2,4-oxadiazol-5-yl)thiophene-2-carbonitrile
PubChem CID103734562
Molecular FormulaC11H11N3OS
Molecular Weight233.30 g/mol
Exact Mass233.06
IUPAC Name5-(3-butyl-1,2,4-oxadiazol-5-yl)thiophene-2-carbonitrile
SMILESCCCCc1noc(-c2ccc(C#N)s2)n1
InChIInChI=1S/C11H11N3OS/c1-2-3-4-10-13-11(15-14-10)9-6-5-8(7-12)16-9/h5-6H,2-4H2,1H3
InChIKeyMAXIMDFAEPNYCM-UHFFFAOYSA-N
XLogP3.01
TPSA62.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.30
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]thiophene-2-carbonitrile
CID 106527356
5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)thiophene-2-carbonitrile
CID 103734590
5-[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]thiophene-2-carbonitrile
CID 106524981
5-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]thiophene-2-carbonitrile
CID 106525170
5-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]thiophene-2-carbonitrile
CID 104676908
5-[3-(2-bromo-4-methylphenyl)-1,2,4-oxadiazol-5-yl]thiophene-2-carbonitrile
CID 104677138
5-(3-butyl-1,2,4-oxadiazol-5-yl)-1H-pyrazol-3-amine
CID 79404984
5-[3-(3,4-dihydroxyphenyl)-1,2,4-oxadiazol-5-yl]thiophene-2-carbonitrile
CID 136889611
5-(6-amino-2-propylpyrimidin-4-yl)thiophene-2-carbonitrile
CID 80945273
5-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]thiophene-2-carbonitrile
CID 106527814
2-[5-(5-bromothiophen-2-yl)-1,2,4-oxadiazol-3-yl]ethanol
CID 115078694
5-[3-(3-fluoro-4-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]thiophene-2-carbonitrile
CID 136871100

Frequently Asked Questions

What is the IUPAC name of 5-(3-butyl-1,2,4-oxadiazol-5-yl)thiophene-2-carbonitrile?
The IUPAC name of 5-(3-butyl-1,2,4-oxadiazol-5-yl)thiophene-2-carbonitrile (CID 103734562) is 5-(3-butyl-1,2,4-oxadiazol-5-yl)thiophene-2-carbonitrile.
What is the SMILES notation for 5-(3-butyl-1,2,4-oxadiazol-5-yl)thiophene-2-carbonitrile?
The canonical SMILES for 5-(3-butyl-1,2,4-oxadiazol-5-yl)thiophene-2-carbonitrile is CCCCc1noc(-c2ccc(C#N)s2)n1.
What is the InChIKey of 5-(3-butyl-1,2,4-oxadiazol-5-yl)thiophene-2-carbonitrile?
The InChIKey is MAXIMDFAEPNYCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3OS/c1-2-3-4-10-13-11(15-14-10)9-6-5-8(7-12)16-9/h5-6H,2-4H2,1H3.
What are the key properties of 5-(3-butyl-1,2,4-oxadiazol-5-yl)thiophene-2-carbonitrile?
5-(3-butyl-1,2,4-oxadiazol-5-yl)thiophene-2-carbonitrile has a molecular weight of 233.30 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-butyl-1,2,4-oxadiazol-5-yl)thiophene-2-carbonitrile is sourced from PubChem (CID 103734562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).