3-(1-methoxy-4-methylcyclohexyl)-5-(thiomorpholin-3-ylmethyl)-1,2,4-oxadiazole

C15H25N3O2S — CID 116742446

IUPAC3-(1-methoxy-4-methylcyclohexyl)-5-(thiomorpholin-3-ylmethyl)-1,2,4-oxadiazole
SMILESCOC1(c2noc(CC3CSCCN3)n2)CCC(C)CC1
InChIInChI=1S/C15H25N3O2S/c1-11-3-5-15(19-2,6-4-11)14-17-13(20-18-14)9-12-10-21-8-7-16-12/h11-12,16H,3-10H2,1-2H3
InChIKeyKLWHKAWNPFDJQT-UHFFFAOYSA-N
MW311.45 g/mol
LogP2.37
Rot. Bonds4

About 3-(1-methoxy-4-methylcyclohexyl)-5-(thiomorpholin-3-ylmethyl)-1,2,4-oxadiazole

3-(1-methoxy-4-methylcyclohexyl)-5-(thiomorpholin-3-ylmethyl)-1,2,4-oxadiazole (PubChem CID 116742446) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is 3-(1-methoxy-4-methylcyclohexyl)-5-(thiomorpholin-3-ylmethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(1-methoxy-4-methylcyclohexyl)-5-(thiomorpholin-3-ylmethyl)-1,2,4-oxadiazole
PubChem CID116742446
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC Name3-(1-methoxy-4-methylcyclohexyl)-5-(thiomorpholin-3-ylmethyl)-1,2,4-oxadiazole
SMILESCOC1(c2noc(CC3CSCCN3)n2)CCC(C)CC1
InChIInChI=1S/C15H25N3O2S/c1-11-3-5-15(19-2,6-4-11)14-17-13(20-18-14)9-12-10-21-8-7-16-12/h11-12,16H,3-10H2,1-2H3
InChIKeyKLWHKAWNPFDJQT-UHFFFAOYSA-N
XLogP2.37
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(azetidin-3-ylmethyl)-3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazole
CID 116742421
3-(1-adamantyl)-5-(thiomorpholin-3-ylmethyl)-1,2,4-oxadiazole
CID 119947899
3-propan-2-yl-5-(thiomorpholin-3-ylmethyl)-1,2,4-oxadiazole
CID 66443481
1,1-difluoro-3-[3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 116780779
3-[3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
CID 116742557
3-(4-methoxyphenyl)-5-(thiomorpholin-3-ylmethyl)-1,2,4-oxadiazole
CID 66445246
1,1,1-trifluoro-3-[3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-2-one
CID 116780394
3-(1-ethoxy-2-methylpropyl)-5-(thiomorpholin-3-ylmethyl)-1,2,4-oxadiazole
CID 116703126
3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-amine
CID 116742455
N,N-dimethyl-2-[5-(thiomorpholin-3-ylmethyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 113291096
4-[3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine
CID 116781338
3-piperidin-1-yl-5-(thiomorpholin-3-ylmethyl)-1,2,4-oxadiazole
CID 116807073

Frequently Asked Questions

What is the IUPAC name of 3-(1-methoxy-4-methylcyclohexyl)-5-(thiomorpholin-3-ylmethyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(1-methoxy-4-methylcyclohexyl)-5-(thiomorpholin-3-ylmethyl)-1,2,4-oxadiazole (CID 116742446) is 3-(1-methoxy-4-methylcyclohexyl)-5-(thiomorpholin-3-ylmethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(1-methoxy-4-methylcyclohexyl)-5-(thiomorpholin-3-ylmethyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(1-methoxy-4-methylcyclohexyl)-5-(thiomorpholin-3-ylmethyl)-1,2,4-oxadiazole is COC1(c2noc(CC3CSCCN3)n2)CCC(C)CC1.
What is the InChIKey of 3-(1-methoxy-4-methylcyclohexyl)-5-(thiomorpholin-3-ylmethyl)-1,2,4-oxadiazole?
The InChIKey is KLWHKAWNPFDJQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-11-3-5-15(19-2,6-4-11)14-17-13(20-18-14)9-12-10-21-8-7-16-12/h11-12,16H,3-10H2,1-2H3.
What are the key properties of 3-(1-methoxy-4-methylcyclohexyl)-5-(thiomorpholin-3-ylmethyl)-1,2,4-oxadiazole?
3-(1-methoxy-4-methylcyclohexyl)-5-(thiomorpholin-3-ylmethyl)-1,2,4-oxadiazole has a molecular weight of 311.45 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methoxy-4-methylcyclohexyl)-5-(thiomorpholin-3-ylmethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 116742446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).