(1S)-1-[3-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine

C14H17N3O — CID 104881220

IUPAC(1S)-1-[3-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine
SMILESC[C@H](N)c1nc(C2CCc3ccccc3C2)no1
InChIInChI=1S/C14H17N3O/c1-9(15)14-16-13(17-18-14)12-7-6-10-4-2-3-5-11(10)8-12/h2-5,9,12H,6-8,15H2,1H3/t9-,12?/m0/s1
InChIKeyWGSJFEHWJXHTPB-QHGLUPRGSA-N
MW243.31 g/mol
LogP2.36
Rot. Bonds2

About (1S)-1-[3-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine

(1S)-1-[3-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine (PubChem CID 104881220) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is (1S)-1-[3-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[3-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine
PubChem CID104881220
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name(1S)-1-[3-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine
SMILESC[C@H](N)c1nc(C2CCc3ccccc3C2)no1
InChIInChI=1S/C14H17N3O/c1-9(15)14-16-13(17-18-14)12-7-6-10-4-2-3-5-11(10)8-12/h2-5,9,12H,6-8,15H2,1H3/t9-,12?/m0/s1
InChIKeyWGSJFEHWJXHTPB-QHGLUPRGSA-N
XLogP2.36
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 ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[3-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine?
The IUPAC name of (1S)-1-[3-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine (CID 104881220) is (1S)-1-[3-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine.
What is the SMILES notation for (1S)-1-[3-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine?
The canonical SMILES for (1S)-1-[3-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine is C[C@H](N)c1nc(C2CCc3ccccc3C2)no1.
What is the InChIKey of (1S)-1-[3-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine?
The InChIKey is WGSJFEHWJXHTPB-QHGLUPRGSA-N. The full InChI is InChI=1S/C14H17N3O/c1-9(15)14-16-13(17-18-14)12-7-6-10-4-2-3-5-11(10)8-12/h2-5,9,12H,6-8,15H2,1H3/t9-,12?/m0/s1.
What are the key properties of (1S)-1-[3-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine?
(1S)-1-[3-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine has a molecular weight of 243.31 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[3-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine is sourced from PubChem (CID 104881220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).