1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-3,4-dihydro-2H-naphthalen-1-amine

C15H19N3O — CID 43559677

IUPAC1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-3,4-dihydro-2H-naphthalen-1-amine
SMILESCC(C)c1nc(C2(N)CCCc3ccccc32)no1
InChIInChI=1S/C15H19N3O/c1-10(2)13-17-14(18-19-13)15(16)9-5-7-11-6-3-4-8-12(11)15/h3-4,6,8,10H,5,7,9,16H2,1-2H3
InChIKeyPMXSCIVARAGIBS-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.73
Rot. Bonds2

About 1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-3,4-dihydro-2H-naphthalen-1-amine

1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-3,4-dihydro-2H-naphthalen-1-amine (PubChem CID 43559677) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-3,4-dihydro-2H-naphthalen-1-amine.

Molecular Properties

Compound Name1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-3,4-dihydro-2H-naphthalen-1-amine
PubChem CID43559677
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-3,4-dihydro-2H-naphthalen-1-amine
SMILESCC(C)c1nc(C2(N)CCCc3ccccc32)no1
InChIInChI=1S/C15H19N3O/c1-10(2)13-17-14(18-19-13)15(16)9-5-7-11-6-3-4-8-12(11)15/h3-4,6,8,10H,5,7,9,16H2,1-2H3
InChIKeyPMXSCIVARAGIBS-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 1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-3,4-dihydro-2H-naphthalen-1-amine?
The IUPAC name of 1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-3,4-dihydro-2H-naphthalen-1-amine (CID 43559677) is 1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-3,4-dihydro-2H-naphthalen-1-amine.
What is the SMILES notation for 1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-3,4-dihydro-2H-naphthalen-1-amine?
The canonical SMILES for 1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-3,4-dihydro-2H-naphthalen-1-amine is CC(C)c1nc(C2(N)CCCc3ccccc32)no1.
What is the InChIKey of 1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-3,4-dihydro-2H-naphthalen-1-amine?
The InChIKey is PMXSCIVARAGIBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-10(2)13-17-14(18-19-13)15(16)9-5-7-11-6-3-4-8-12(11)15/h3-4,6,8,10H,5,7,9,16H2,1-2H3.
What are the key properties of 1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-3,4-dihydro-2H-naphthalen-1-amine?
1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-3,4-dihydro-2H-naphthalen-1-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 1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-3,4-dihydro-2H-naphthalen-1-amine is sourced from PubChem (CID 43559677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).