cyclohexyl 2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetate

C14H16N2O3S2 — CID 648611

IUPACcyclohexyl 2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetate
SMILESO=C(CSc1nnc(-c2cccs2)o1)OC1CCCCC1
InChIInChI=1S/C14H16N2O3S2/c17-12(18-10-5-2-1-3-6-10)9-21-14-16-15-13(19-14)11-7-4-8-20-11/h4,7-8,10H,1-3,5-6,9H2
InChIKeyKMJJCFKJOLSBKI-UHFFFAOYSA-N
MW324.43 g/mol
LogP3.77
Rot. Bonds5

About cyclohexyl 2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetate

cyclohexyl 2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetate (PubChem CID 648611) has the molecular formula C14H16N2O3S2 and a molecular weight of 324.43 g/mol. Its IUPAC name is cyclohexyl 2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetate.

Molecular Properties

Compound Namecyclohexyl 2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetate
PubChem CID648611
Molecular FormulaC14H16N2O3S2
Molecular Weight324.43 g/mol
Exact Mass324.06
IUPAC Namecyclohexyl 2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetate
SMILESO=C(CSc1nnc(-c2cccs2)o1)OC1CCCCC1
InChIInChI=1S/C14H16N2O3S2/c17-12(18-10-5-2-1-3-6-10)9-21-14-16-15-13(19-14)11-7-4-8-20-11/h4,7-8,10H,1-3,5-6,9H2
InChIKeyKMJJCFKJOLSBKI-UHFFFAOYSA-N
XLogP3.77
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl 2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetate?
The IUPAC name of cyclohexyl 2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetate (CID 648611) is cyclohexyl 2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetate.
What is the SMILES notation for cyclohexyl 2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetate?
The canonical SMILES for cyclohexyl 2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetate is O=C(CSc1nnc(-c2cccs2)o1)OC1CCCCC1.
What is the InChIKey of cyclohexyl 2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetate?
The InChIKey is KMJJCFKJOLSBKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S2/c17-12(18-10-5-2-1-3-6-10)9-21-14-16-15-13(19-14)11-7-4-8-20-11/h4,7-8,10H,1-3,5-6,9H2.
What are the key properties of cyclohexyl 2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetate?
cyclohexyl 2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetate has a molecular weight of 324.43 g/mol, XLogP of 3.77, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetate is sourced from PubChem (CID 648611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).