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

C14H25N3O2 — CID 111461808

IUPAC1-[[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]methyl]-4-methylcyclohexan-1-ol
SMILESCCc1noc(CN(C)CC2(O)CCC(C)CC2)n1
InChIInChI=1S/C14H25N3O2/c1-4-12-15-13(19-16-12)9-17(3)10-14(18)7-5-11(2)6-8-14/h11,18H,4-10H2,1-3H3
InChIKeyLKUNIXMYLQVGHI-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.01
Rot. Bonds5

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

1-[[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]methyl]-4-methylcyclohexan-1-ol (PubChem CID 111461808) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 1-[[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]methyl]-4-methylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]methyl]-4-methylcyclohexan-1-ol
PubChem CID111461808
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name1-[[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]methyl]-4-methylcyclohexan-1-ol
SMILESCCc1noc(CN(C)CC2(O)CCC(C)CC2)n1
InChIInChI=1S/C14H25N3O2/c1-4-12-15-13(19-16-12)9-17(3)10-14(18)7-5-11(2)6-8-14/h11,18H,4-10H2,1-3H3
InChIKeyLKUNIXMYLQVGHI-UHFFFAOYSA-N
XLogP2.01
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]methyl]-4-methylcyclohexan-1-ol?
The IUPAC name of 1-[[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]methyl]-4-methylcyclohexan-1-ol (CID 111461808) is 1-[[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]methyl]-4-methylcyclohexan-1-ol.
What is the SMILES notation for 1-[[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]methyl]-4-methylcyclohexan-1-ol?
The canonical SMILES for 1-[[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]methyl]-4-methylcyclohexan-1-ol is CCc1noc(CN(C)CC2(O)CCC(C)CC2)n1.
What is the InChIKey of 1-[[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]methyl]-4-methylcyclohexan-1-ol?
The InChIKey is LKUNIXMYLQVGHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-4-12-15-13(19-16-12)9-17(3)10-14(18)7-5-11(2)6-8-14/h11,18H,4-10H2,1-3H3.
What are the key properties of 1-[[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]methyl]-4-methylcyclohexan-1-ol?
1-[[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]methyl]-4-methylcyclohexan-1-ol has a molecular weight of 267.37 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]methyl]-4-methylcyclohexan-1-ol is sourced from PubChem (CID 111461808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).