(4-cyclohexylsulfanyl-3-methyl-1,2-oxazol-5-yl)-piperazin-1-ylmethanone

C15H23N3O2S — CID 71123087

IUPAC(4-cyclohexylsulfanyl-3-methyl-1,2-oxazol-5-yl)-piperazin-1-ylmethanone
SMILESCc1noc(C(=O)N2CCNCC2)c1SC1CCCCC1
InChIInChI=1S/C15H23N3O2S/c1-11-14(21-12-5-3-2-4-6-12)13(20-17-11)15(19)18-9-7-16-8-10-18/h12,16H,2-10H2,1H3
InChIKeyHCSJGXCVDKQDCS-UHFFFAOYSA-N
MW309.44 g/mol
LogP2.45
Rot. Bonds3

About (4-cyclohexylsulfanyl-3-methyl-1,2-oxazol-5-yl)-piperazin-1-ylmethanone

(4-cyclohexylsulfanyl-3-methyl-1,2-oxazol-5-yl)-piperazin-1-ylmethanone (PubChem CID 71123087) has the molecular formula C15H23N3O2S and a molecular weight of 309.44 g/mol. Its IUPAC name is (4-cyclohexylsulfanyl-3-methyl-1,2-oxazol-5-yl)-piperazin-1-ylmethanone.

Molecular Properties

Compound Name(4-cyclohexylsulfanyl-3-methyl-1,2-oxazol-5-yl)-piperazin-1-ylmethanone
PubChem CID71123087
Molecular FormulaC15H23N3O2S
Molecular Weight309.44 g/mol
Exact Mass309.15
IUPAC Name(4-cyclohexylsulfanyl-3-methyl-1,2-oxazol-5-yl)-piperazin-1-ylmethanone
SMILESCc1noc(C(=O)N2CCNCC2)c1SC1CCCCC1
InChIInChI=1S/C15H23N3O2S/c1-11-14(21-12-5-3-2-4-6-12)13(20-17-11)15(19)18-9-7-16-8-10-18/h12,16H,2-10H2,1H3
InChIKeyHCSJGXCVDKQDCS-UHFFFAOYSA-N
XLogP2.45
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-cyclohexylsulfanyl-3-methyl-1,2-oxazol-5-yl)-piperazin-1-ylmethanone?
The IUPAC name of (4-cyclohexylsulfanyl-3-methyl-1,2-oxazol-5-yl)-piperazin-1-ylmethanone (CID 71123087) is (4-cyclohexylsulfanyl-3-methyl-1,2-oxazol-5-yl)-piperazin-1-ylmethanone.
What is the SMILES notation for (4-cyclohexylsulfanyl-3-methyl-1,2-oxazol-5-yl)-piperazin-1-ylmethanone?
The canonical SMILES for (4-cyclohexylsulfanyl-3-methyl-1,2-oxazol-5-yl)-piperazin-1-ylmethanone is Cc1noc(C(=O)N2CCNCC2)c1SC1CCCCC1.
What is the InChIKey of (4-cyclohexylsulfanyl-3-methyl-1,2-oxazol-5-yl)-piperazin-1-ylmethanone?
The InChIKey is HCSJGXCVDKQDCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2S/c1-11-14(21-12-5-3-2-4-6-12)13(20-17-11)15(19)18-9-7-16-8-10-18/h12,16H,2-10H2,1H3.
What are the key properties of (4-cyclohexylsulfanyl-3-methyl-1,2-oxazol-5-yl)-piperazin-1-ylmethanone?
(4-cyclohexylsulfanyl-3-methyl-1,2-oxazol-5-yl)-piperazin-1-ylmethanone has a molecular weight of 309.44 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclohexylsulfanyl-3-methyl-1,2-oxazol-5-yl)-piperazin-1-ylmethanone is sourced from PubChem (CID 71123087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).