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

C16H29N3O2 — CID 116781245

IUPAC1-[3-(1-ethoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-4-methylpentan-2-amine
SMILESCCOC1(c2noc(CC(N)CC(C)C)n2)CCCCC1
InChIInChI=1S/C16H29N3O2/c1-4-20-16(8-6-5-7-9-16)15-18-14(21-19-15)11-13(17)10-12(2)3/h12-13H,4-11,17H2,1-3H3
InChIKeyJMSGCZSPOFUNTI-UHFFFAOYSA-N
MW295.43 g/mol
LogP3.18
Rot. Bonds7

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

1-[3-(1-ethoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-4-methylpentan-2-amine (PubChem CID 116781245) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is 1-[3-(1-ethoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-4-methylpentan-2-amine.

Molecular Properties

Compound Name1-[3-(1-ethoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-4-methylpentan-2-amine
PubChem CID116781245
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC Name1-[3-(1-ethoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-4-methylpentan-2-amine
SMILESCCOC1(c2noc(CC(N)CC(C)C)n2)CCCCC1
InChIInChI=1S/C16H29N3O2/c1-4-20-16(8-6-5-7-9-16)15-18-14(21-19-15)11-13(17)10-12(2)3/h12-13H,4-11,17H2,1-3H3
InChIKeyJMSGCZSPOFUNTI-UHFFFAOYSA-N
XLogP3.18
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[3-(1-ethoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-4-methylpentan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]-4-methylpentan-2-amine
CID 116781414
1-[3-(1-ethoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine
CID 116741965
4-methyl-1-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 80681042
(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
1-[3-(1-ethoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-3-methoxy-N-methylpropan-2-amine
CID 116781267
4-[3-(1-ethoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-3-hydroxybutanenitrile
CID 106527668
2-[[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]-4-methylpentan-1-amine
CID 116741586
2-[3-(1-ethoxycycloheptyl)-1,2,4-oxadiazol-5-yl]pentan-3-amine
CID 116781437
1-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-amine
CID 116743143
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 1-[3-(1-ethoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-4-methylpentan-2-amine?
The IUPAC name of 1-[3-(1-ethoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-4-methylpentan-2-amine (CID 116781245) is 1-[3-(1-ethoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-4-methylpentan-2-amine.
What is the SMILES notation for 1-[3-(1-ethoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-4-methylpentan-2-amine?
The canonical SMILES for 1-[3-(1-ethoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-4-methylpentan-2-amine is CCOC1(c2noc(CC(N)CC(C)C)n2)CCCCC1.
What is the InChIKey of 1-[3-(1-ethoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-4-methylpentan-2-amine?
The InChIKey is JMSGCZSPOFUNTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2/c1-4-20-16(8-6-5-7-9-16)15-18-14(21-19-15)11-13(17)10-12(2)3/h12-13H,4-11,17H2,1-3H3.
What are the key properties of 1-[3-(1-ethoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-4-methylpentan-2-amine?
1-[3-(1-ethoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-4-methylpentan-2-amine has a molecular weight of 295.43 g/mol, XLogP of 3.18, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-ethoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-4-methylpentan-2-amine is sourced from PubChem (CID 116781245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).