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

C11H19N3O2 — CID 106399582

IUPAC1-[[2-(1,2,4-oxadiazol-5-yl)ethylamino]methyl]cyclohexan-1-ol
SMILESOC1(CNCCc2ncno2)CCCCC1
InChIInChI=1S/C11H19N3O2/c15-11(5-2-1-3-6-11)8-12-7-4-10-13-9-14-16-10/h9,12,15H,1-8H2
InChIKeyOVCZDPDKAUDUEV-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.90
Rot. Bonds5

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

1-[[2-(1,2,4-oxadiazol-5-yl)ethylamino]methyl]cyclohexan-1-ol (PubChem CID 106399582) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 1-[[2-(1,2,4-oxadiazol-5-yl)ethylamino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[[2-(1,2,4-oxadiazol-5-yl)ethylamino]methyl]cyclohexan-1-ol
PubChem CID106399582
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name1-[[2-(1,2,4-oxadiazol-5-yl)ethylamino]methyl]cyclohexan-1-ol
SMILESOC1(CNCCc2ncno2)CCCCC1
InChIInChI=1S/C11H19N3O2/c15-11(5-2-1-3-6-11)8-12-7-4-10-13-9-14-16-10/h9,12,15H,1-8H2
InChIKeyOVCZDPDKAUDUEV-UHFFFAOYSA-N
XLogP0.90
TPSA71.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-cyano-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]cyclohexane-1-carboxamide
CID 113253187
2-(1,2,4-oxadiazol-5-yl)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine
CID 106399718
2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]acetonitrile
CID 106399744
2-[1-[2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-2-oxoethyl]cyclohexyl]acetic acid
CID 106394668
2-(1-aminocyclobutyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]acetamide
CID 106397532
2-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]prop-2-en-1-amine
CID 106399887
1-[(2-thiophen-2-ylethylamino)methyl]cycloheptan-1-ol
CID 60900091
1-[(2-phenylethylamino)methyl]cyclopentan-1-ol
CID 65105220
3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]propane-1,2-diol
CID 106399669
1-[[2-(4-methyl-1,3-thiazol-5-yl)ethylamino]methyl]cyclopentan-1-ol
CID 65108787
1-[[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]methyl]cycloheptan-1-ol
CID 55202674
trans-(1S,2S)-2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]cyclopentan-1-ol
CID 106399719

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(1,2,4-oxadiazol-5-yl)ethylamino]methyl]cyclohexan-1-ol?
The IUPAC name of 1-[[2-(1,2,4-oxadiazol-5-yl)ethylamino]methyl]cyclohexan-1-ol (CID 106399582) is 1-[[2-(1,2,4-oxadiazol-5-yl)ethylamino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[[2-(1,2,4-oxadiazol-5-yl)ethylamino]methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[[2-(1,2,4-oxadiazol-5-yl)ethylamino]methyl]cyclohexan-1-ol is OC1(CNCCc2ncno2)CCCCC1.
What is the InChIKey of 1-[[2-(1,2,4-oxadiazol-5-yl)ethylamino]methyl]cyclohexan-1-ol?
The InChIKey is OVCZDPDKAUDUEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c15-11(5-2-1-3-6-11)8-12-7-4-10-13-9-14-16-10/h9,12,15H,1-8H2.
What are the key properties of 1-[[2-(1,2,4-oxadiazol-5-yl)ethylamino]methyl]cyclohexan-1-ol?
1-[[2-(1,2,4-oxadiazol-5-yl)ethylamino]methyl]cyclohexan-1-ol has a molecular weight of 225.29 g/mol, XLogP of 0.90, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(1,2,4-oxadiazol-5-yl)ethylamino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 106399582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).