3-[3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine

C17H23N3O — CID 63350305

IUPAC3-[3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
SMILESCCC(c1nc(C2CCCc3ccccc32)no1)C(C)N
InChIInChI=1S/C17H23N3O/c1-3-13(11(2)18)17-19-16(20-21-17)15-10-6-8-12-7-4-5-9-14(12)15/h4-5,7,9,11,13,15H,3,6,8,10,18H2,1-2H3
InChIKeyGBGJADCESVOZCE-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.38
Rot. Bonds4

About 3-[3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine

3-[3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine (PubChem CID 63350305) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 3-[3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine.

Molecular Properties

Compound Name3-[3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
PubChem CID63350305
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name3-[3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
SMILESCCC(c1nc(C2CCCc3ccccc32)no1)C(C)N
InChIInChI=1S/C17H23N3O/c1-3-13(11(2)18)17-19-16(20-21-17)15-10-6-8-12-7-4-5-9-14(12)15/h4-5,7,9,11,13,15H,3,6,8,10,18H2,1-2H3
InChIKeyGBGJADCESVOZCE-UHFFFAOYSA-N
XLogP3.38
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine?
The IUPAC name of 3-[3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine (CID 63350305) is 3-[3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine.
What is the SMILES notation for 3-[3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine?
The canonical SMILES for 3-[3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine is CCC(c1nc(C2CCCc3ccccc32)no1)C(C)N.
What is the InChIKey of 3-[3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine?
The InChIKey is GBGJADCESVOZCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-3-13(11(2)18)17-19-16(20-21-17)15-10-6-8-12-7-4-5-9-14(12)15/h4-5,7,9,11,13,15H,3,6,8,10,18H2,1-2H3.
What are the key properties of 3-[3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine?
3-[3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine has a molecular weight of 285.39 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine is sourced from PubChem (CID 63350305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).