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

C14H25N3O2 — CID 65329237

IUPAC2-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-3-amine
SMILESCCCNC(CC)C(C)c1nc(C2CCOC2)no1
InChIInChI=1S/C14H25N3O2/c1-4-7-15-12(5-2)10(3)14-16-13(17-19-14)11-6-8-18-9-11/h10-12,15H,4-9H2,1-3H3
InChIKeyNJVAAPHLNRLWBS-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.46
Rot. Bonds7

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

2-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-3-amine (PubChem CID 65329237) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 2-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-3-amine.

Molecular Properties

Compound Name2-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-3-amine
PubChem CID65329237
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name2-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-3-amine
SMILESCCCNC(CC)C(C)c1nc(C2CCOC2)no1
InChIInChI=1S/C14H25N3O2/c1-4-7-15-12(5-2)10(3)14-16-13(17-19-14)11-6-8-18-9-11/h10-12,15H,4-9H2,1-3H3
InChIKeyNJVAAPHLNRLWBS-UHFFFAOYSA-N
XLogP2.46
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-3-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-2-amine
CID 65329235
N-methyl-2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pentan-3-amine
CID 65334208
N-ethyl-1-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 65329027
2-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)-N-ethylpentan-3-amine
CID 80610609
2-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-N-methylpentan-3-amine
CID 64985592
N-[1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)ethyl]propan-1-amine
CID 63349207
3-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-N-propylbutan-2-amine
CID 65389298
2-[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]-N-propylpentan-3-amine
CID 116733496
2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-propylpentan-3-amine
CID 63559519
ethyl 4-methyl-2-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]pentanoate
CID 79475005
4-[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]-N-propylbutan-2-amine
CID 65333945
2-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-3-amine
CID 64533435

Frequently Asked Questions

What is the IUPAC name of 2-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-3-amine?
The IUPAC name of 2-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-3-amine (CID 65329237) is 2-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-3-amine.
What is the SMILES notation for 2-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-3-amine?
The canonical SMILES for 2-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-3-amine is CCCNC(CC)C(C)c1nc(C2CCOC2)no1.
What is the InChIKey of 2-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-3-amine?
The InChIKey is NJVAAPHLNRLWBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-4-7-15-12(5-2)10(3)14-16-13(17-19-14)11-6-8-18-9-11/h10-12,15H,4-9H2,1-3H3.
What are the key properties of 2-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-3-amine?
2-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-3-amine has a molecular weight of 267.37 g/mol, XLogP of 2.46, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-3-amine is sourced from PubChem (CID 65329237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).