3-butyl-5-[1-(furan-2-ylmethylsulfanyl)ethyl]-1,2,4-oxadiazole

C13H18N2O2S — CID 78848034

IUPAC3-butyl-5-[1-(furan-2-ylmethylsulfanyl)ethyl]-1,2,4-oxadiazole
SMILESCCCCc1noc(C(C)SCc2ccco2)n1
InChIInChI=1S/C13H18N2O2S/c1-3-4-7-12-14-13(17-15-12)10(2)18-9-11-6-5-8-16-11/h5-6,8,10H,3-4,7,9H2,1-2H3
InChIKeyBAZPUBIFHHCFKZ-UHFFFAOYSA-N
MW266.37 g/mol
LogP4.00
Rot. Bonds7

About 3-butyl-5-[1-(furan-2-ylmethylsulfanyl)ethyl]-1,2,4-oxadiazole

3-butyl-5-[1-(furan-2-ylmethylsulfanyl)ethyl]-1,2,4-oxadiazole (PubChem CID 78848034) has the molecular formula C13H18N2O2S and a molecular weight of 266.37 g/mol. Its IUPAC name is 3-butyl-5-[1-(furan-2-ylmethylsulfanyl)ethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-butyl-5-[1-(furan-2-ylmethylsulfanyl)ethyl]-1,2,4-oxadiazole
PubChem CID78848034
Molecular FormulaC13H18N2O2S
Molecular Weight266.37 g/mol
Exact Mass266.11
IUPAC Name3-butyl-5-[1-(furan-2-ylmethylsulfanyl)ethyl]-1,2,4-oxadiazole
SMILESCCCCc1noc(C(C)SCc2ccco2)n1
InChIInChI=1S/C13H18N2O2S/c1-3-4-7-12-14-13(17-15-12)10(2)18-9-11-6-5-8-16-11/h5-6,8,10H,3-4,7,9H2,1-2H3
InChIKeyBAZPUBIFHHCFKZ-UHFFFAOYSA-N
XLogP4.00
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-butyl-5-[1-(furan-2-ylmethylsulfanyl)ethyl]-1,2,4-oxadiazole with MolForge

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

Launch Full Analysis

Related Compounds

3-butyl-5-propan-2-yl-1,2,4-oxadiazole
CID 123624408
3-butyl-5-[(1S)-1-chloroethyl]-1,2,4-oxadiazole
CID 25490822
(1S)-2-[4-[(1S)-1-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-1-(furan-2-yl)ethanol
CID 95294032
2-[(1R)-1-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]sulfanyl-N-(2-methylphenyl)acetamide
CID 97098629
[4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethylsulfanylmethyl]phenyl]methanol
CID 110006910
5-[(3-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-(furan-2-ylmethyl)-1,3,4-thiadiazol-2-amine
CID 36808968
5-butyl-3-(furan-2-ylmethylsulfanyl)-1H-1,2,4-triazole
CID 70384231
5-[(1S)-1-(furan-2-ylmethylsulfanyl)ethyl]-1-phenyltetrazole
CID 124506400
(3-butyl-1,2,4-oxadiazol-5-yl)-thiophen-2-ylmethanamine
CID 115285006
3-(furan-2-yl)-5-[1-(3-propyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-1,2,4-triazol-4-amine
CID 46567685
2-(3-butyl-1,2,4-oxadiazol-5-yl)-N-methylpentan-3-amine
CID 79412396
3-[5-(furan-2-ylmethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 115079621

Frequently Asked Questions

What is the IUPAC name of 3-butyl-5-[1-(furan-2-ylmethylsulfanyl)ethyl]-1,2,4-oxadiazole?
The IUPAC name of 3-butyl-5-[1-(furan-2-ylmethylsulfanyl)ethyl]-1,2,4-oxadiazole (CID 78848034) is 3-butyl-5-[1-(furan-2-ylmethylsulfanyl)ethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-butyl-5-[1-(furan-2-ylmethylsulfanyl)ethyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-butyl-5-[1-(furan-2-ylmethylsulfanyl)ethyl]-1,2,4-oxadiazole is CCCCc1noc(C(C)SCc2ccco2)n1.
What is the InChIKey of 3-butyl-5-[1-(furan-2-ylmethylsulfanyl)ethyl]-1,2,4-oxadiazole?
The InChIKey is BAZPUBIFHHCFKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2S/c1-3-4-7-12-14-13(17-15-12)10(2)18-9-11-6-5-8-16-11/h5-6,8,10H,3-4,7,9H2,1-2H3.
What are the key properties of 3-butyl-5-[1-(furan-2-ylmethylsulfanyl)ethyl]-1,2,4-oxadiazole?
3-butyl-5-[1-(furan-2-ylmethylsulfanyl)ethyl]-1,2,4-oxadiazole has a molecular weight of 266.37 g/mol, XLogP of 4.00, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-5-[1-(furan-2-ylmethylsulfanyl)ethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 78848034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).