1-(5-heptan-3-yl-1,2,4-oxadiazol-3-yl)-2-propan-2-yloxyethanamine

C14H27N3O2 — CID 104634631

IUPAC1-(5-heptan-3-yl-1,2,4-oxadiazol-3-yl)-2-propan-2-yloxyethanamine
SMILESCCCCC(CC)c1nc(C(N)COC(C)C)no1
InChIInChI=1S/C14H27N3O2/c1-5-7-8-11(6-2)14-16-13(17-19-14)12(15)9-18-10(3)4/h10-12H,5-9,15H2,1-4H3
InChIKeySDWQDDUDMKSCOM-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.18
Rot. Bonds9

About 1-(5-heptan-3-yl-1,2,4-oxadiazol-3-yl)-2-propan-2-yloxyethanamine

1-(5-heptan-3-yl-1,2,4-oxadiazol-3-yl)-2-propan-2-yloxyethanamine (PubChem CID 104634631) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is 1-(5-heptan-3-yl-1,2,4-oxadiazol-3-yl)-2-propan-2-yloxyethanamine.

Molecular Properties

Compound Name1-(5-heptan-3-yl-1,2,4-oxadiazol-3-yl)-2-propan-2-yloxyethanamine
PubChem CID104634631
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Name1-(5-heptan-3-yl-1,2,4-oxadiazol-3-yl)-2-propan-2-yloxyethanamine
SMILESCCCCC(CC)c1nc(C(N)COC(C)C)no1
InChIInChI=1S/C14H27N3O2/c1-5-7-8-11(6-2)14-16-13(17-19-14)12(15)9-18-10(3)4/h10-12H,5-9,15H2,1-4H3
InChIKeySDWQDDUDMKSCOM-UHFFFAOYSA-N
XLogP3.18
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(5-heptan-3-yl-1,2,4-oxadiazol-3-yl)-2-propan-2-yloxyethanamine?
The IUPAC name of 1-(5-heptan-3-yl-1,2,4-oxadiazol-3-yl)-2-propan-2-yloxyethanamine (CID 104634631) is 1-(5-heptan-3-yl-1,2,4-oxadiazol-3-yl)-2-propan-2-yloxyethanamine.
What is the SMILES notation for 1-(5-heptan-3-yl-1,2,4-oxadiazol-3-yl)-2-propan-2-yloxyethanamine?
The canonical SMILES for 1-(5-heptan-3-yl-1,2,4-oxadiazol-3-yl)-2-propan-2-yloxyethanamine is CCCCC(CC)c1nc(C(N)COC(C)C)no1.
What is the InChIKey of 1-(5-heptan-3-yl-1,2,4-oxadiazol-3-yl)-2-propan-2-yloxyethanamine?
The InChIKey is SDWQDDUDMKSCOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-5-7-8-11(6-2)14-16-13(17-19-14)12(15)9-18-10(3)4/h10-12H,5-9,15H2,1-4H3.
What are the key properties of 1-(5-heptan-3-yl-1,2,4-oxadiazol-3-yl)-2-propan-2-yloxyethanamine?
1-(5-heptan-3-yl-1,2,4-oxadiazol-3-yl)-2-propan-2-yloxyethanamine has a molecular weight of 269.39 g/mol, XLogP of 3.18, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-heptan-3-yl-1,2,4-oxadiazol-3-yl)-2-propan-2-yloxyethanamine is sourced from PubChem (CID 104634631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).