3-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]-N,4-dimethylpentan-2-amine

C14H27N3O2 — CID 116733157

IUPAC3-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]-N,4-dimethylpentan-2-amine
SMILESCCOC(CC)c1noc(C(C(C)C)C(C)NC)n1
InChIInChI=1S/C14H27N3O2/c1-7-11(18-8-2)13-16-14(19-17-13)12(9(3)4)10(5)15-6/h9-12,15H,7-8H2,1-6H3
InChIKeyMCLGFSDZCHADSW-UHFFFAOYSA-N
MW269.39 g/mol
LogP2.90
Rot. Bonds8

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

3-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]-N,4-dimethylpentan-2-amine (PubChem CID 116733157) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is 3-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]-N,4-dimethylpentan-2-amine.

Molecular Properties

Compound Name3-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]-N,4-dimethylpentan-2-amine
PubChem CID116733157
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Name3-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]-N,4-dimethylpentan-2-amine
SMILESCCOC(CC)c1noc(C(C(C)C)C(C)NC)n1
InChIInChI=1S/C14H27N3O2/c1-7-11(18-8-2)13-16-14(19-17-13)12(9(3)4)10(5)15-6/h9-12,15H,7-8H2,1-6H3
InChIKeyMCLGFSDZCHADSW-UHFFFAOYSA-N
XLogP2.90
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]-N,4-dimethylpentan-2-amine
CID 116733099
3-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]-N-methylbutan-2-amine
CID 116733133
(1S,2S)-1-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine
CID 104900343
3-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-2-amine
CID 116733136
N,4-dimethyl-3-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 116633598
3-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine
CID 116733062
2-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]pentan-3-one
CID 116732543
6-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]heptan-2-amine
CID 116701890
3-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-N,4-dimethylpentan-2-amine
CID 63892419
3-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-4-methylpentan-2-amine
CID 116733392
N-[[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 116702156
[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine
CID 116701976

Frequently Asked Questions

What is the IUPAC name of 3-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]-N,4-dimethylpentan-2-amine?
The IUPAC name of 3-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]-N,4-dimethylpentan-2-amine (CID 116733157) is 3-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]-N,4-dimethylpentan-2-amine.
What is the SMILES notation for 3-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]-N,4-dimethylpentan-2-amine?
The canonical SMILES for 3-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]-N,4-dimethylpentan-2-amine is CCOC(CC)c1noc(C(C(C)C)C(C)NC)n1.
What is the InChIKey of 3-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]-N,4-dimethylpentan-2-amine?
The InChIKey is MCLGFSDZCHADSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-7-11(18-8-2)13-16-14(19-17-13)12(9(3)4)10(5)15-6/h9-12,15H,7-8H2,1-6H3.
What are the key properties of 3-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]-N,4-dimethylpentan-2-amine?
3-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]-N,4-dimethylpentan-2-amine has a molecular weight of 269.39 g/mol, XLogP of 2.90, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]-N,4-dimethylpentan-2-amine is sourced from PubChem (CID 116733157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).