1-cyclohexyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone

C11H16N2O2S — CID 115576325

IUPAC1-cyclohexyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone
SMILESCc1nnc(SCC(=O)C2CCCCC2)o1
InChIInChI=1S/C11H16N2O2S/c1-8-12-13-11(15-8)16-7-10(14)9-5-3-2-4-6-9/h9H,2-7H2,1H3
InChIKeyKVJBXKBFFNMGOP-UHFFFAOYSA-N
MW240.33 g/mol
LogP2.62
Rot. Bonds4

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

1-cyclohexyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone (PubChem CID 115576325) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is 1-cyclohexyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone.

Molecular Properties

Compound Name1-cyclohexyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone
PubChem CID115576325
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC Name1-cyclohexyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone
SMILESCc1nnc(SCC(=O)C2CCCCC2)o1
InChIInChI=1S/C11H16N2O2S/c1-8-12-13-11(15-8)16-7-10(14)9-5-3-2-4-6-9/h9H,2-7H2,1H3
InChIKeyKVJBXKBFFNMGOP-UHFFFAOYSA-N
XLogP2.62
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone?
The IUPAC name of 1-cyclohexyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone (CID 115576325) is 1-cyclohexyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone.
What is the SMILES notation for 1-cyclohexyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone?
The canonical SMILES for 1-cyclohexyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone is Cc1nnc(SCC(=O)C2CCCCC2)o1.
What is the InChIKey of 1-cyclohexyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone?
The InChIKey is KVJBXKBFFNMGOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c1-8-12-13-11(15-8)16-7-10(14)9-5-3-2-4-6-9/h9H,2-7H2,1H3.
What are the key properties of 1-cyclohexyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone?
1-cyclohexyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone has a molecular weight of 240.33 g/mol, XLogP of 2.62, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone is sourced from PubChem (CID 115576325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).