2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-propylpentan-3-amine

C14H27N3O — CID 63559519

IUPAC2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-propylpentan-3-amine
SMILESCCCNC(CC)C(C)c1nc(C(C)(C)C)no1
InChIInChI=1S/C14H27N3O/c1-7-9-15-11(8-2)10(3)12-16-13(17-18-12)14(4,5)6/h10-11,15H,7-9H2,1-6H3
InChIKeyKNRFLNJEPUOQHU-UHFFFAOYSA-N
MW253.39 g/mol
LogP3.25
Rot. Bonds6

About 2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-propylpentan-3-amine

2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-propylpentan-3-amine (PubChem CID 63559519) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-propylpentan-3-amine.

Molecular Properties

Compound Name2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-propylpentan-3-amine
PubChem CID63559519
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-propylpentan-3-amine
SMILESCCCNC(CC)C(C)c1nc(C(C)(C)C)no1
InChIInChI=1S/C14H27N3O/c1-7-9-15-11(8-2)10(3)12-16-13(17-18-12)14(4,5)6/h10-11,15H,7-9H2,1-6H3
InChIKeyKNRFLNJEPUOQHU-UHFFFAOYSA-N
XLogP3.25
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-propylpentan-3-amine?
The IUPAC name of 2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-propylpentan-3-amine (CID 63559519) is 2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-propylpentan-3-amine.
What is the SMILES notation for 2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-propylpentan-3-amine?
The canonical SMILES for 2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-propylpentan-3-amine is CCCNC(CC)C(C)c1nc(C(C)(C)C)no1.
What is the InChIKey of 2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-propylpentan-3-amine?
The InChIKey is KNRFLNJEPUOQHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-7-9-15-11(8-2)10(3)12-16-13(17-18-12)14(4,5)6/h10-11,15H,7-9H2,1-6H3.
What are the key properties of 2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-propylpentan-3-amine?
2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-propylpentan-3-amine has a molecular weight of 253.39 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-propylpentan-3-amine is sourced from PubChem (CID 63559519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).