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

C14H17N3O — CID 43559435

IUPAC1-(5-ethyl-1,2,4-oxadiazol-3-yl)-3,4-dihydro-2H-naphthalen-1-amine
SMILESCCc1nc(C2(N)CCCc3ccccc32)no1
InChIInChI=1S/C14H17N3O/c1-2-12-16-13(17-18-12)14(15)9-5-7-10-6-3-4-8-11(10)14/h3-4,6,8H,2,5,7,9,15H2,1H3
InChIKeyJMLXXIDKOHDIRN-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.17
Rot. Bonds2

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

1-(5-ethyl-1,2,4-oxadiazol-3-yl)-3,4-dihydro-2H-naphthalen-1-amine (PubChem CID 43559435) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 1-(5-ethyl-1,2,4-oxadiazol-3-yl)-3,4-dihydro-2H-naphthalen-1-amine.

Molecular Properties

Compound Name1-(5-ethyl-1,2,4-oxadiazol-3-yl)-3,4-dihydro-2H-naphthalen-1-amine
PubChem CID43559435
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name1-(5-ethyl-1,2,4-oxadiazol-3-yl)-3,4-dihydro-2H-naphthalen-1-amine
SMILESCCc1nc(C2(N)CCCc3ccccc32)no1
InChIInChI=1S/C14H17N3O/c1-2-12-16-13(17-18-12)14(15)9-5-7-10-6-3-4-8-11(10)14/h3-4,6,8H,2,5,7,9,15H2,1H3
InChIKeyJMLXXIDKOHDIRN-UHFFFAOYSA-N
XLogP2.17
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-ethyl-1,2,4-oxadiazol-3-yl)-3,4-dihydro-2H-naphthalen-1-amine?
The IUPAC name of 1-(5-ethyl-1,2,4-oxadiazol-3-yl)-3,4-dihydro-2H-naphthalen-1-amine (CID 43559435) is 1-(5-ethyl-1,2,4-oxadiazol-3-yl)-3,4-dihydro-2H-naphthalen-1-amine.
What is the SMILES notation for 1-(5-ethyl-1,2,4-oxadiazol-3-yl)-3,4-dihydro-2H-naphthalen-1-amine?
The canonical SMILES for 1-(5-ethyl-1,2,4-oxadiazol-3-yl)-3,4-dihydro-2H-naphthalen-1-amine is CCc1nc(C2(N)CCCc3ccccc32)no1.
What is the InChIKey of 1-(5-ethyl-1,2,4-oxadiazol-3-yl)-3,4-dihydro-2H-naphthalen-1-amine?
The InChIKey is JMLXXIDKOHDIRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-2-12-16-13(17-18-12)14(15)9-5-7-10-6-3-4-8-11(10)14/h3-4,6,8H,2,5,7,9,15H2,1H3.
What are the key properties of 1-(5-ethyl-1,2,4-oxadiazol-3-yl)-3,4-dihydro-2H-naphthalen-1-amine?
1-(5-ethyl-1,2,4-oxadiazol-3-yl)-3,4-dihydro-2H-naphthalen-1-amine has a molecular weight of 243.31 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethyl-1,2,4-oxadiazol-3-yl)-3,4-dihydro-2H-naphthalen-1-amine is sourced from PubChem (CID 43559435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).