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

C15H27N3O3 — CID 116781267

IUPAC1-[3-(1-ethoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-3-methoxy-N-methylpropan-2-amine
SMILESCCOC1(c2noc(CC(COC)NC)n2)CCCCC1
InChIInChI=1S/C15H27N3O3/c1-4-20-15(8-6-5-7-9-15)14-17-13(21-18-14)10-12(16-2)11-19-3/h12,16H,4-11H2,1-3H3
InChIKeyVOCMNGTXEXMRCT-UHFFFAOYSA-N
MW297.40 g/mol
LogP2.04
Rot. Bonds8

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

1-[3-(1-ethoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-3-methoxy-N-methylpropan-2-amine (PubChem CID 116781267) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is 1-[3-(1-ethoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-3-methoxy-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-[3-(1-ethoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-3-methoxy-N-methylpropan-2-amine
PubChem CID116781267
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC Name1-[3-(1-ethoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-3-methoxy-N-methylpropan-2-amine
SMILESCCOC1(c2noc(CC(COC)NC)n2)CCCCC1
InChIInChI=1S/C15H27N3O3/c1-4-20-15(8-6-5-7-9-15)14-17-13(21-18-14)10-12(16-2)11-19-3/h12,16H,4-11H2,1-3H3
InChIKeyVOCMNGTXEXMRCT-UHFFFAOYSA-N
XLogP2.04
TPSA69.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[3-(1-ethoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-4-methylpentan-2-amine
CID 116781245
N-ethyl-1-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 116781208
4-[3-(1-ethoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-3-hydroxybutanenitrile
CID 106527668
1-(3-ethyl-1,2,4-oxadiazol-5-yl)-3-methoxy-N-methylpropan-2-amine
CID 63347822
1-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-N,3-dimethylbutan-2-amine
CID 116781216
N-ethyl-1-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 104612027
2-[[3-(1-ethoxycycloheptyl)-1,2,4-oxadiazol-5-yl]methylamino]acetamide
CID 107436752
1-[3-(1-ethoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-3-methoxypropan-2-ol
CID 116780825
N-ethyl-1-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 104612017
2-[[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]butan-1-amine
CID 116741681
N-ethyl-1-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]-4-methylpentan-2-amine
CID 116733043
4-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]butan-1-ol
CID 116781658

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-ethoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-3-methoxy-N-methylpropan-2-amine?
The IUPAC name of 1-[3-(1-ethoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-3-methoxy-N-methylpropan-2-amine (CID 116781267) is 1-[3-(1-ethoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-3-methoxy-N-methylpropan-2-amine.
What is the SMILES notation for 1-[3-(1-ethoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-3-methoxy-N-methylpropan-2-amine?
The canonical SMILES for 1-[3-(1-ethoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-3-methoxy-N-methylpropan-2-amine is CCOC1(c2noc(CC(COC)NC)n2)CCCCC1.
What is the InChIKey of 1-[3-(1-ethoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-3-methoxy-N-methylpropan-2-amine?
The InChIKey is VOCMNGTXEXMRCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3/c1-4-20-15(8-6-5-7-9-15)14-17-13(21-18-14)10-12(16-2)11-19-3/h12,16H,4-11H2,1-3H3.
What are the key properties of 1-[3-(1-ethoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-3-methoxy-N-methylpropan-2-amine?
1-[3-(1-ethoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-3-methoxy-N-methylpropan-2-amine has a molecular weight of 297.40 g/mol, XLogP of 2.04, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-ethoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-3-methoxy-N-methylpropan-2-amine is sourced from PubChem (CID 116781267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).