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

C13H23N3O2 — CID 107911681

IUPAC4-ethyl-1-[[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]methyl]cyclohexan-1-ol
SMILESCCC1CCC(O)(CNCc2noc(C)n2)CC1
InChIInChI=1S/C13H23N3O2/c1-3-11-4-6-13(17,7-5-11)9-14-8-12-15-10(2)18-16-12/h11,14,17H,3-9H2,1-2H3
InChIKeyUUKKPKPQTCKXCS-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.80
Rot. Bonds5

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

4-ethyl-1-[[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]methyl]cyclohexan-1-ol (PubChem CID 107911681) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 4-ethyl-1-[[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-ethyl-1-[[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]methyl]cyclohexan-1-ol
PubChem CID107911681
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name4-ethyl-1-[[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]methyl]cyclohexan-1-ol
SMILESCCC1CCC(O)(CNCc2noc(C)n2)CC1
InChIInChI=1S/C13H23N3O2/c1-3-11-4-6-13(17,7-5-11)9-14-8-12-15-10(2)18-16-12/h11,14,17H,3-9H2,1-2H3
InChIKeyUUKKPKPQTCKXCS-UHFFFAOYSA-N
XLogP1.80
TPSA71.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Launch Full Analysis

Related Compounds

2-Cyclohexyl-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methylamino]propan-1-ol
CID 72002674
2,2,2-trifluoro-N-[[3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine
CID 116742552
1-[[(3-Methyl-1,2,4-oxadiazol-5-yl)methylamino]methyl]cycloheptan-1-ol
CID 54903763
1-[[(3-Methyl-1,2,4-oxadiazol-5-yl)methylamino]methyl]cyclohexan-1-ol
CID 61014602
N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide
CID 65119409
N-[(1-hydroxy-4-methylcyclohexyl)methyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide
CID 65120042
N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide
CID 65123880
1-[[(3-Methyl-1,2,4-oxadiazol-5-yl)methylamino]methyl]cyclopentan-1-ol
CID 65210840
N-[[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 65392852
N-[[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine
CID 65393468
N-[[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine
CID 65394097
1-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-N-methylmethanamine
CID 65395137

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-[[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]methyl]cyclohexan-1-ol?
The IUPAC name of 4-ethyl-1-[[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]methyl]cyclohexan-1-ol (CID 107911681) is 4-ethyl-1-[[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-ethyl-1-[[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]methyl]cyclohexan-1-ol?
The canonical SMILES for 4-ethyl-1-[[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]methyl]cyclohexan-1-ol is CCC1CCC(O)(CNCc2noc(C)n2)CC1.
What is the InChIKey of 4-ethyl-1-[[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]methyl]cyclohexan-1-ol?
The InChIKey is UUKKPKPQTCKXCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-3-11-4-6-13(17,7-5-11)9-14-8-12-15-10(2)18-16-12/h11,14,17H,3-9H2,1-2H3.
What are the key properties of 4-ethyl-1-[[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]methyl]cyclohexan-1-ol?
4-ethyl-1-[[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]methyl]cyclohexan-1-ol has a molecular weight of 253.35 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-[[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 107911681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).