3-methyl-1-[[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]methyl]cyclohexan-1-ol

C12H21N3O2 — CID 107911680

IUPAC3-methyl-1-[[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]methyl]cyclohexan-1-ol
SMILESCc1nc(CNCC2(O)CCCC(C)C2)no1
InChIInChI=1S/C12H21N3O2/c1-9-4-3-5-12(16,6-9)8-13-7-11-14-10(2)17-15-11/h9,13,16H,3-8H2,1-2H3
InChIKeyMXPDBLRTBPMIMY-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.41
Rot. Bonds4

About 3-methyl-1-[[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]methyl]cyclohexan-1-ol

3-methyl-1-[[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]methyl]cyclohexan-1-ol (PubChem CID 107911680) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 3-methyl-1-[[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name3-methyl-1-[[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]methyl]cyclohexan-1-ol
PubChem CID107911680
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name3-methyl-1-[[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]methyl]cyclohexan-1-ol
SMILESCc1nc(CNCC2(O)CCCC(C)C2)no1
InChIInChI=1S/C12H21N3O2/c1-9-4-3-5-12(16,6-9)8-13-7-11-14-10(2)17-15-11/h9,13,16H,3-8H2,1-2H3
InChIKeyMXPDBLRTBPMIMY-UHFFFAOYSA-N
XLogP1.41
TPSA71.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-methyl-1-[[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]methyl]cyclohexan-1-ol with MolForge

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Related Compounds

4-ethyl-1-[[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]methyl]cyclohexan-1-ol
CID 107911681
4-[[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]methyl]oxan-4-ol
CID 107911775
3-methyl-1-[[(2-methyltetrazol-5-yl)methylamino]methyl]cyclohexan-1-ol
CID 107042478
3-methyl-1-[[(2,4,6-trimethylphenyl)methylamino]methyl]cyclohexan-1-ol
CID 63934761
1-[[(1-hydroxy-3-methylcyclohexyl)methylamino]methyl]cycloheptan-1-ol
CID 65120782
1-[[[5-(hydroxymethyl)furan-2-yl]methylamino]methyl]-3-methylcyclohexan-1-ol
CID 65117347
1-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[(2-methyloxolan-2-yl)methyl]methanamine
CID 107911749
3-methyl-1-[[(2-propylpyrazol-3-yl)methylamino]methyl]cyclohexan-1-ol
CID 114555849
4-[[(1-hydroxy-3-methylcyclohexyl)methylamino]methyl]-1,3-thiazole-2-carboxylic acid
CID 103254382
1-[[(4,6-dimethylpyrimidin-2-yl)amino]methyl]-3-methylcyclohexan-1-ol
CID 63962757
1-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[(2-methylthiolan-2-yl)methyl]methanamine
CID 107911772
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(oxan-3-yl)methanamine
CID 107911447

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]methyl]cyclohexan-1-ol?
The IUPAC name of 3-methyl-1-[[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]methyl]cyclohexan-1-ol (CID 107911680) is 3-methyl-1-[[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 3-methyl-1-[[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]methyl]cyclohexan-1-ol?
The canonical SMILES for 3-methyl-1-[[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]methyl]cyclohexan-1-ol is Cc1nc(CNCC2(O)CCCC(C)C2)no1.
What is the InChIKey of 3-methyl-1-[[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]methyl]cyclohexan-1-ol?
The InChIKey is MXPDBLRTBPMIMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-9-4-3-5-12(16,6-9)8-13-7-11-14-10(2)17-15-11/h9,13,16H,3-8H2,1-2H3.
What are the key properties of 3-methyl-1-[[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]methyl]cyclohexan-1-ol?
3-methyl-1-[[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]methyl]cyclohexan-1-ol has a molecular weight of 239.32 g/mol, XLogP of 1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 107911680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).