2-[3-(1-ethoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine

C14H25N3O2 — CID 116741876

IUPAC2-[3-(1-ethoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine
SMILESCCOC1(c2noc(C(C)(C)NC)n2)CCCCC1
InChIInChI=1S/C14H25N3O2/c1-5-18-14(9-7-6-8-10-14)11-16-12(19-17-11)13(2,3)15-4/h15H,5-10H2,1-4H3
InChIKeyZIFUQDXMOQOGBE-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.72
Rot. Bonds5

About 2-[3-(1-ethoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine

2-[3-(1-ethoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine (PubChem CID 116741876) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 2-[3-(1-ethoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine.

Molecular Properties

Compound Name2-[3-(1-ethoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine
PubChem CID116741876
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name2-[3-(1-ethoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine
SMILESCCOC1(c2noc(C(C)(C)NC)n2)CCCCC1
InChIInChI=1S/C14H25N3O2/c1-5-18-14(9-7-6-8-10-14)11-16-12(19-17-11)13(2,3)15-4/h15H,5-10H2,1-4H3
InChIKeyZIFUQDXMOQOGBE-UHFFFAOYSA-N
XLogP2.72
TPSA60.18 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 ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(4-ethoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine
CID 116742284
2-[3-(1-ethoxy-4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine
CID 116742957
1-cyclopropyl-1-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 116741417
(1S)-1-[3-(1-ethoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
CID 104901859
1-[3-(1-ethoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
CID 116741836
3-[3-(4-ethoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]pentan-3-amine
CID 116742385
2-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 116741779
2-[3-(1-ethoxycycloheptyl)-1,2,4-oxadiazol-5-yl]pentan-3-amine
CID 116781437
3-(1-ethoxycyclohexyl)-5-(3-ethylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 116741864
1-[3-(1-ethoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-3-methoxy-N-methylpropan-2-amine
CID 116781267
1-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 116741506
4-[3-(1-ethoxycycloheptyl)-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine
CID 116743337

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-ethoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine?
The IUPAC name of 2-[3-(1-ethoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine (CID 116741876) is 2-[3-(1-ethoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine.
What is the SMILES notation for 2-[3-(1-ethoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine?
The canonical SMILES for 2-[3-(1-ethoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine is CCOC1(c2noc(C(C)(C)NC)n2)CCCCC1.
What is the InChIKey of 2-[3-(1-ethoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine?
The InChIKey is ZIFUQDXMOQOGBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-5-18-14(9-7-6-8-10-14)11-16-12(19-17-11)13(2,3)15-4/h15H,5-10H2,1-4H3.
What are the key properties of 2-[3-(1-ethoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine?
2-[3-(1-ethoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine has a molecular weight of 267.37 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-ethoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine is sourced from PubChem (CID 116741876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).