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

C17H21N3O — CID 64667286

IUPAC1-cyclopropyl-1-[3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-oxadiazol-5-yl]ethanamine
SMILESCC(N)(c1nc(C2CCCc3ccccc32)no1)C1CC1
InChIInChI=1S/C17H21N3O/c1-17(18,12-9-10-12)16-19-15(20-21-16)14-8-4-6-11-5-2-3-7-13(11)14/h2-3,5,7,12,14H,4,6,8-10,18H2,1H3
InChIKeyYFKBNKGSSZSVHH-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.12
Rot. Bonds3

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

1-cyclopropyl-1-[3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-oxadiazol-5-yl]ethanamine (PubChem CID 64667286) has the molecular formula C17H21N3O and a molecular weight of 283.37 g/mol. Its IUPAC name is 1-cyclopropyl-1-[3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-oxadiazol-5-yl]ethanamine.

Molecular Properties

Compound Name1-cyclopropyl-1-[3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-oxadiazol-5-yl]ethanamine
PubChem CID64667286
Molecular FormulaC17H21N3O
Molecular Weight283.37 g/mol
Exact Mass283.17
IUPAC Name1-cyclopropyl-1-[3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-oxadiazol-5-yl]ethanamine
SMILESCC(N)(c1nc(C2CCCc3ccccc32)no1)C1CC1
InChIInChI=1S/C17H21N3O/c1-17(18,12-9-10-12)16-19-15(20-21-16)14-8-4-6-11-5-2-3-7-13(11)14/h2-3,5,7,12,14H,4,6,8-10,18H2,1H3
InChIKeyYFKBNKGSSZSVHH-UHFFFAOYSA-N
XLogP3.12
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-[3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-oxadiazol-5-yl]ethanamine?
The IUPAC name of 1-cyclopropyl-1-[3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-oxadiazol-5-yl]ethanamine (CID 64667286) is 1-cyclopropyl-1-[3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-oxadiazol-5-yl]ethanamine.
What is the SMILES notation for 1-cyclopropyl-1-[3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-oxadiazol-5-yl]ethanamine?
The canonical SMILES for 1-cyclopropyl-1-[3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-oxadiazol-5-yl]ethanamine is CC(N)(c1nc(C2CCCc3ccccc32)no1)C1CC1.
What is the InChIKey of 1-cyclopropyl-1-[3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-oxadiazol-5-yl]ethanamine?
The InChIKey is YFKBNKGSSZSVHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-17(18,12-9-10-12)16-19-15(20-21-16)14-8-4-6-11-5-2-3-7-13(11)14/h2-3,5,7,12,14H,4,6,8-10,18H2,1H3.
What are the key properties of 1-cyclopropyl-1-[3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-oxadiazol-5-yl]ethanamine?
1-cyclopropyl-1-[3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-oxadiazol-5-yl]ethanamine has a molecular weight of 283.37 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-[3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-oxadiazol-5-yl]ethanamine is sourced from PubChem (CID 64667286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).