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

C15H29N3O2 — CID 116733136

IUPAC3-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-2-amine
SMILESCCCNC(C)C(CC)c1nc(C(CC)OCC)no1
InChIInChI=1S/C15H29N3O2/c1-6-10-16-11(5)12(7-2)15-17-14(18-20-15)13(8-3)19-9-4/h11-13,16H,6-10H2,1-5H3
InChIKeyPFHYNJAKGOKVFO-UHFFFAOYSA-N
MW283.42 g/mol
LogP3.44
Rot. Bonds10

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

3-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-2-amine (PubChem CID 116733136) has the molecular formula C15H29N3O2 and a molecular weight of 283.42 g/mol. Its IUPAC name is 3-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-2-amine.

Molecular Properties

Compound Name3-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-2-amine
PubChem CID116733136
Molecular FormulaC15H29N3O2
Molecular Weight283.42 g/mol
Exact Mass283.23
IUPAC Name3-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-2-amine
SMILESCCCNC(C)C(CC)c1nc(C(CC)OCC)no1
InChIInChI=1S/C15H29N3O2/c1-6-10-16-11(5)12(7-2)15-17-14(18-20-15)13(8-3)19-9-4/h11-13,16H,6-10H2,1-5H3
InChIKeyPFHYNJAKGOKVFO-UHFFFAOYSA-N
XLogP3.44
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 53.44
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-propylbutan-2-amine
CID 116733060
3-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]-N-methylbutan-2-amine
CID 116733133
3-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]-N,4-dimethylpentan-2-amine
CID 116733157
3-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine
CID 116733062
(1S,2S)-1-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine
CID 104900343
N-propyl-3-[3-(propylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 65134533
3-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-2-amine
CID 63350067
3-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine
CID 116733235
2-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-3-amine
CID 64533435
3-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-N-propylpentan-2-amine
CID 103151073
2-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]pentan-3-one
CID 116732543
3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-2-amine
CID 63347982

Frequently Asked Questions

What is the IUPAC name of 3-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-2-amine?
The IUPAC name of 3-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-2-amine (CID 116733136) is 3-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-2-amine.
What is the SMILES notation for 3-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-2-amine?
The canonical SMILES for 3-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-2-amine is CCCNC(C)C(CC)c1nc(C(CC)OCC)no1.
What is the InChIKey of 3-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-2-amine?
The InChIKey is PFHYNJAKGOKVFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2/c1-6-10-16-11(5)12(7-2)15-17-14(18-20-15)13(8-3)19-9-4/h11-13,16H,6-10H2,1-5H3.
What are the key properties of 3-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-2-amine?
3-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-2-amine has a molecular weight of 283.42 g/mol, XLogP of 3.44, 10 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-propylpentan-2-amine is sourced from PubChem (CID 116733136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).