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

C15H19N3O — CID 62719692

IUPAC2-[5-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine
SMILESCC(C)(N)c1noc(C2CCCc3ccccc32)n1
InChIInChI=1S/C15H19N3O/c1-15(2,16)14-17-13(19-18-14)12-9-5-7-10-6-3-4-8-11(10)12/h3-4,6,8,12H,5,7,9,16H2,1-2H3
InChIKeyWNOXWDZECVPKJP-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.73
Rot. Bonds2

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

2-[5-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine (PubChem CID 62719692) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 2-[5-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine.

Molecular Properties

Compound Name2-[5-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine
PubChem CID62719692
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name2-[5-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine
SMILESCC(C)(N)c1noc(C2CCCc3ccccc32)n1
InChIInChI=1S/C15H19N3O/c1-15(2,16)14-17-13(19-18-14)12-9-5-7-10-6-3-4-8-11(10)12/h3-4,6,8,12H,5,7,9,16H2,1-2H3
InChIKeyWNOXWDZECVPKJP-UHFFFAOYSA-N
XLogP2.73
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine?
The IUPAC name of 2-[5-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine (CID 62719692) is 2-[5-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine.
What is the SMILES notation for 2-[5-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine?
The canonical SMILES for 2-[5-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine is CC(C)(N)c1noc(C2CCCc3ccccc32)n1.
What is the InChIKey of 2-[5-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine?
The InChIKey is WNOXWDZECVPKJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-15(2,16)14-17-13(19-18-14)12-9-5-7-10-6-3-4-8-11(10)12/h3-4,6,8,12H,5,7,9,16H2,1-2H3.
What are the key properties of 2-[5-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine?
2-[5-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine has a molecular weight of 257.34 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine is sourced from PubChem (CID 62719692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).