2-(3,3-difluoropentylsulfanyl)-5-(2-methylfuran-3-yl)-1,3,4-oxadiazole

C12H14F2N2O2S — CID 138048463

IUPAC2-(3,3-difluoropentylsulfanyl)-5-(2-methylfuran-3-yl)-1,3,4-oxadiazole
SMILESCCC(F)(F)CCSc1nnc(-c2ccoc2C)o1
InChIInChI=1S/C12H14F2N2O2S/c1-3-12(13,14)5-7-19-11-16-15-10(18-11)9-4-6-17-8(9)2/h4,6H,3,5,7H2,1-2H3
InChIKeyKJYGOBNSUYANPI-UHFFFAOYSA-N
MW288.32 g/mol
LogP4.17
Rot. Bonds6

About 2-(3,3-difluoropentylsulfanyl)-5-(2-methylfuran-3-yl)-1,3,4-oxadiazole

2-(3,3-difluoropentylsulfanyl)-5-(2-methylfuran-3-yl)-1,3,4-oxadiazole (PubChem CID 138048463) has the molecular formula C12H14F2N2O2S and a molecular weight of 288.32 g/mol. Its IUPAC name is 2-(3,3-difluoropentylsulfanyl)-5-(2-methylfuran-3-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(3,3-difluoropentylsulfanyl)-5-(2-methylfuran-3-yl)-1,3,4-oxadiazole
PubChem CID138048463
Molecular FormulaC12H14F2N2O2S
Molecular Weight288.32 g/mol
Exact Mass288.07
IUPAC Name2-(3,3-difluoropentylsulfanyl)-5-(2-methylfuran-3-yl)-1,3,4-oxadiazole
SMILESCCC(F)(F)CCSc1nnc(-c2ccoc2C)o1
InChIInChI=1S/C12H14F2N2O2S/c1-3-12(13,14)5-7-19-11-16-15-10(18-11)9-4-6-17-8(9)2/h4,6H,3,5,7H2,1-2H3
InChIKeyKJYGOBNSUYANPI-UHFFFAOYSA-N
XLogP4.17
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(3,3-difluoropentylsulfanyl)-5-(2-methylfuran-3-yl)-1,3,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-difluoropentylsulfanyl)-5-(2-methylfuran-3-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-(3,3-difluoropentylsulfanyl)-5-(2-methylfuran-3-yl)-1,3,4-oxadiazole (CID 138048463) is 2-(3,3-difluoropentylsulfanyl)-5-(2-methylfuran-3-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(3,3-difluoropentylsulfanyl)-5-(2-methylfuran-3-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(3,3-difluoropentylsulfanyl)-5-(2-methylfuran-3-yl)-1,3,4-oxadiazole is CCC(F)(F)CCSc1nnc(-c2ccoc2C)o1.
What is the InChIKey of 2-(3,3-difluoropentylsulfanyl)-5-(2-methylfuran-3-yl)-1,3,4-oxadiazole?
The InChIKey is KJYGOBNSUYANPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N2O2S/c1-3-12(13,14)5-7-19-11-16-15-10(18-11)9-4-6-17-8(9)2/h4,6H,3,5,7H2,1-2H3.
What are the key properties of 2-(3,3-difluoropentylsulfanyl)-5-(2-methylfuran-3-yl)-1,3,4-oxadiazole?
2-(3,3-difluoropentylsulfanyl)-5-(2-methylfuran-3-yl)-1,3,4-oxadiazole has a molecular weight of 288.32 g/mol, XLogP of 4.17, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-difluoropentylsulfanyl)-5-(2-methylfuran-3-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 138048463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).