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

C11H5N3O2S — CID 106524503

IUPAC2-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]thiophene-3-carbonitrile
SMILESN#Cc1ccsc1-c1nc(-c2ccco2)no1
InChIInChI=1S/C11H5N3O2S/c12-6-7-3-5-17-9(7)11-13-10(14-16-11)8-2-1-4-15-8/h1-5H
InChIKeyNIXXKXLRPRXPKD-UHFFFAOYSA-N
MW243.25 g/mol
LogP2.93
Rot. Bonds2

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

2-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]thiophene-3-carbonitrile (PubChem CID 106524503) has the molecular formula C11H5N3O2S and a molecular weight of 243.25 g/mol. Its IUPAC name is 2-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]thiophene-3-carbonitrile.

Molecular Properties

Compound Name2-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]thiophene-3-carbonitrile
PubChem CID106524503
Molecular FormulaC11H5N3O2S
Molecular Weight243.25 g/mol
Exact Mass243.01
IUPAC Name2-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]thiophene-3-carbonitrile
SMILESN#Cc1ccsc1-c1nc(-c2ccco2)no1
InChIInChI=1S/C11H5N3O2S/c12-6-7-3-5-17-9(7)11-13-10(14-16-11)8-2-1-4-15-8/h1-5H
InChIKeyNIXXKXLRPRXPKD-UHFFFAOYSA-N
XLogP2.93
TPSA75.85 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.25
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]thiophene-3-carbonitrile
CID 104656670
2-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)thiophene-3-carbonitrile
CID 106525087
2-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]thiophene-3-carbonitrile
CID 106524025
5-(3-cyanothiophen-2-yl)-1,2,4-oxadiazole-3-carboxamide
CID 106527841
2-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]thiophene-3-carbonitrile
CID 104677302
3-(furan-2-yl)-1,2,4-oxadiazole-5-carboxylic acid
CID 28806052
[4-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]methanamine
CID 62716479
4-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methylamino]benzonitrile
CID 47153889
4-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-3-methyl-1,2-thiazol-5-amine
CID 79391770
2-bromo-5-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 107813735
2-amino-6-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]phenol
CID 136712714
2-amino-5-(2-formylthiophen-3-yl)-6-(furan-2-yl)pyridine-3-carbonitrile
CID 22708016

Frequently Asked Questions

What is the IUPAC name of 2-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]thiophene-3-carbonitrile?
The IUPAC name of 2-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]thiophene-3-carbonitrile (CID 106524503) is 2-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]thiophene-3-carbonitrile.
What is the SMILES notation for 2-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]thiophene-3-carbonitrile?
The canonical SMILES for 2-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]thiophene-3-carbonitrile is N#Cc1ccsc1-c1nc(-c2ccco2)no1.
What is the InChIKey of 2-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]thiophene-3-carbonitrile?
The InChIKey is NIXXKXLRPRXPKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5N3O2S/c12-6-7-3-5-17-9(7)11-13-10(14-16-11)8-2-1-4-15-8/h1-5H.
What are the key properties of 2-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]thiophene-3-carbonitrile?
2-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]thiophene-3-carbonitrile has a molecular weight of 243.25 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]thiophene-3-carbonitrile is sourced from PubChem (CID 106524503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).