5-chloro-3-(ethylsulfanylmethyl)-1,2,4-oxadiazole

C5H7ClN2OS — CID 65127613

IUPAC5-chloro-3-(ethylsulfanylmethyl)-1,2,4-oxadiazole
SMILESCCSCc1noc(Cl)n1
InChIInChI=1S/C5H7ClN2OS/c1-2-10-3-4-7-5(6)9-8-4/h2-3H2,1H3
InChIKeyHHIDMPVGXIWHFD-UHFFFAOYSA-N
MW178.64 g/mol
LogP1.98
Rot. Bonds3

About 5-chloro-3-(ethylsulfanylmethyl)-1,2,4-oxadiazole

5-chloro-3-(ethylsulfanylmethyl)-1,2,4-oxadiazole (PubChem CID 65127613) has the molecular formula C5H7ClN2OS and a molecular weight of 178.64 g/mol. Its IUPAC name is 5-chloro-3-(ethylsulfanylmethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-chloro-3-(ethylsulfanylmethyl)-1,2,4-oxadiazole
PubChem CID65127613
Molecular FormulaC5H7ClN2OS
Molecular Weight178.64 g/mol
Exact Mass178.00
IUPAC Name5-chloro-3-(ethylsulfanylmethyl)-1,2,4-oxadiazole
SMILESCCSCc1noc(Cl)n1
InChIInChI=1S/C5H7ClN2OS/c1-2-10-3-4-7-5(6)9-8-4/h2-3H2,1H3
InChIKeyHHIDMPVGXIWHFD-UHFFFAOYSA-N
XLogP1.98
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.64
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-chloro-3-(ethylsulfanylmethyl)-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-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methanol
CID 65129843
(1S)-1-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 104881157
1-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-one
CID 65130266
3-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
CID 81072564
(1R)-1-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine
CID 104904166
2-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine
CID 65222089
2-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]thiophen-3-amine
CID 65130994
1-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-3,3-dimethylbutan-2-amine
CID 65129726
1-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 65130648
3-(ethylsulfanylmethyl)-5-piperidin-4-yl-1,2,4-oxadiazole
CID 65131299
4-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol
CID 65129781
4-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-3,5-difluoroaniline
CID 114217301

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(ethylsulfanylmethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-chloro-3-(ethylsulfanylmethyl)-1,2,4-oxadiazole (CID 65127613) is 5-chloro-3-(ethylsulfanylmethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-chloro-3-(ethylsulfanylmethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-chloro-3-(ethylsulfanylmethyl)-1,2,4-oxadiazole is CCSCc1noc(Cl)n1.
What is the InChIKey of 5-chloro-3-(ethylsulfanylmethyl)-1,2,4-oxadiazole?
The InChIKey is HHIDMPVGXIWHFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7ClN2OS/c1-2-10-3-4-7-5(6)9-8-4/h2-3H2,1H3.
What are the key properties of 5-chloro-3-(ethylsulfanylmethyl)-1,2,4-oxadiazole?
5-chloro-3-(ethylsulfanylmethyl)-1,2,4-oxadiazole has a molecular weight of 178.64 g/mol, XLogP of 1.98, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(ethylsulfanylmethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 65127613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).