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

C15H17N3OS — CID 106526006

IUPAC2-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)thiophene-3-carbonitrile
SMILESN#Cc1ccsc1-c1nc(C2CCCCCCC2)no1
InChIInChI=1S/C15H17N3OS/c16-10-12-8-9-20-13(12)15-17-14(18-19-15)11-6-4-2-1-3-5-7-11/h8-9,11H,1-7H2
InChIKeyPPDIHAAQHBBSFL-UHFFFAOYSA-N
MW287.39 g/mol
LogP4.50
Rot. Bonds2

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

2-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)thiophene-3-carbonitrile (PubChem CID 106526006) has the molecular formula C15H17N3OS and a molecular weight of 287.39 g/mol. Its IUPAC name is 2-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)thiophene-3-carbonitrile.

Molecular Properties

Compound Name2-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)thiophene-3-carbonitrile
PubChem CID106526006
Molecular FormulaC15H17N3OS
Molecular Weight287.39 g/mol
Exact Mass287.11
IUPAC Name2-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)thiophene-3-carbonitrile
SMILESN#Cc1ccsc1-c1nc(C2CCCCCCC2)no1
InChIInChI=1S/C15H17N3OS/c16-10-12-8-9-20-13(12)15-17-14(18-19-15)11-6-4-2-1-3-5-7-11/h8-9,11H,1-7H2
InChIKeyPPDIHAAQHBBSFL-UHFFFAOYSA-N
XLogP4.50
TPSA62.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)thiophene-3-carbonitrile
CID 106525087
2-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]thiophene-3-carbonitrile
CID 104677302
2-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]thiophene-3-carbonitrile
CID 106524503
2-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]thiophene-3-carbonitrile
CID 104677235
1-cyclohexyl-3-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]urea
CID 90608086
6-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)pyridine-3-carbonitrile
CID 113233892
5-(3-cyanothiophen-2-yl)-1,2,4-oxadiazole-3-carboxamide
CID 106527841
2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]thiophene-3-carbonitrile
CID 104656670
2-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)benzene-1,3-diol
CID 136813508
2-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)benzene-1,3-diol
CID 136813482
2-[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]thiophen-3-amine
CID 65423267
5-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-4-methylthiophen-2-amine
CID 43100925

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)thiophene-3-carbonitrile?
The IUPAC name of 2-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)thiophene-3-carbonitrile (CID 106526006) is 2-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)thiophene-3-carbonitrile.
What is the SMILES notation for 2-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)thiophene-3-carbonitrile?
The canonical SMILES for 2-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)thiophene-3-carbonitrile is N#Cc1ccsc1-c1nc(C2CCCCCCC2)no1.
What is the InChIKey of 2-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)thiophene-3-carbonitrile?
The InChIKey is PPDIHAAQHBBSFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3OS/c16-10-12-8-9-20-13(12)15-17-14(18-19-15)11-6-4-2-1-3-5-7-11/h8-9,11H,1-7H2.
What are the key properties of 2-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)thiophene-3-carbonitrile?
2-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)thiophene-3-carbonitrile has a molecular weight of 287.39 g/mol, XLogP of 4.50, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)thiophene-3-carbonitrile is sourced from PubChem (CID 106526006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).