2-[5-[(2-methylcyclohexyl)oxymethyl]-1,3,4-oxadiazol-2-yl]-4-methylsulfonylmorpholine

C15H25N3O5S — CID 128996944

IUPAC2-[5-[(2-methylcyclohexyl)oxymethyl]-1,3,4-oxadiazol-2-yl]-4-methylsulfonylmorpholine
SMILESCC1CCCCC1OCc1nnc(C2CN(S(C)(=O)=O)CCO2)o1
InChIInChI=1S/C15H25N3O5S/c1-11-5-3-4-6-12(11)22-10-14-16-17-15(23-14)13-9-18(7-8-21-13)24(2,19)20/h11-13H,3-10H2,1-2H3
InChIKeyCGNJPAOITRVANT-UHFFFAOYSA-N
MW359.45 g/mol
LogP1.50
Rot. Bonds5

About 2-[5-[(2-methylcyclohexyl)oxymethyl]-1,3,4-oxadiazol-2-yl]-4-methylsulfonylmorpholine

2-[5-[(2-methylcyclohexyl)oxymethyl]-1,3,4-oxadiazol-2-yl]-4-methylsulfonylmorpholine (PubChem CID 128996944) has the molecular formula C15H25N3O5S and a molecular weight of 359.45 g/mol. Its IUPAC name is 2-[5-[(2-methylcyclohexyl)oxymethyl]-1,3,4-oxadiazol-2-yl]-4-methylsulfonylmorpholine.

Molecular Properties

Compound Name2-[5-[(2-methylcyclohexyl)oxymethyl]-1,3,4-oxadiazol-2-yl]-4-methylsulfonylmorpholine
PubChem CID128996944
Molecular FormulaC15H25N3O5S
Molecular Weight359.45 g/mol
Exact Mass359.15
IUPAC Name2-[5-[(2-methylcyclohexyl)oxymethyl]-1,3,4-oxadiazol-2-yl]-4-methylsulfonylmorpholine
SMILESCC1CCCCC1OCc1nnc(C2CN(S(C)(=O)=O)CCO2)o1
InChIInChI=1S/C15H25N3O5S/c1-11-5-3-4-6-12(11)22-10-14-16-17-15(23-14)13-9-18(7-8-21-13)24(2,19)20/h11-13H,3-10H2,1-2H3
InChIKeyCGNJPAOITRVANT-UHFFFAOYSA-N
XLogP1.50
TPSA94.76 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[(2-methylcyclohexyl)oxymethyl]-1,3,4-oxadiazol-2-yl]-4-methylsulfonylmorpholine?
The IUPAC name of 2-[5-[(2-methylcyclohexyl)oxymethyl]-1,3,4-oxadiazol-2-yl]-4-methylsulfonylmorpholine (CID 128996944) is 2-[5-[(2-methylcyclohexyl)oxymethyl]-1,3,4-oxadiazol-2-yl]-4-methylsulfonylmorpholine.
What is the SMILES notation for 2-[5-[(2-methylcyclohexyl)oxymethyl]-1,3,4-oxadiazol-2-yl]-4-methylsulfonylmorpholine?
The canonical SMILES for 2-[5-[(2-methylcyclohexyl)oxymethyl]-1,3,4-oxadiazol-2-yl]-4-methylsulfonylmorpholine is CC1CCCCC1OCc1nnc(C2CN(S(C)(=O)=O)CCO2)o1.
What is the InChIKey of 2-[5-[(2-methylcyclohexyl)oxymethyl]-1,3,4-oxadiazol-2-yl]-4-methylsulfonylmorpholine?
The InChIKey is CGNJPAOITRVANT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O5S/c1-11-5-3-4-6-12(11)22-10-14-16-17-15(23-14)13-9-18(7-8-21-13)24(2,19)20/h11-13H,3-10H2,1-2H3.
What are the key properties of 2-[5-[(2-methylcyclohexyl)oxymethyl]-1,3,4-oxadiazol-2-yl]-4-methylsulfonylmorpholine?
2-[5-[(2-methylcyclohexyl)oxymethyl]-1,3,4-oxadiazol-2-yl]-4-methylsulfonylmorpholine has a molecular weight of 359.45 g/mol, XLogP of 1.50, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(2-methylcyclohexyl)oxymethyl]-1,3,4-oxadiazol-2-yl]-4-methylsulfonylmorpholine is sourced from PubChem (CID 128996944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).