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

C16H19N3O2 — CID 65456100

IUPAC5-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESNC1CCCc2c(OCc3noc(C4CC4)n3)cccc21
InChIInChI=1S/C16H19N3O2/c17-13-5-1-4-12-11(13)3-2-6-14(12)20-9-15-18-16(21-19-15)10-7-8-10/h2-3,6,10,13H,1,4-5,7-9,17H2
InChIKeyWWVMGSJAMGXKNN-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.86
Rot. Bonds4

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

5-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 65456100) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 5-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name5-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID65456100
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name5-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESNC1CCCc2c(OCc3noc(C4CC4)n3)cccc21
InChIInChI=1S/C16H19N3O2/c17-13-5-1-4-12-11(13)3-2-6-14(12)20-9-15-18-16(21-19-15)10-7-8-10/h2-3,6,10,13H,1,4-5,7-9,17H2
InChIKeyWWVMGSJAMGXKNN-UHFFFAOYSA-N
XLogP2.86
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of 5-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-amine (CID 65456100) is 5-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for 5-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for 5-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-amine is NC1CCCc2c(OCc3noc(C4CC4)n3)cccc21.
What is the InChIKey of 5-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is WWVMGSJAMGXKNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c17-13-5-1-4-12-11(13)3-2-6-14(12)20-9-15-18-16(21-19-15)10-7-8-10/h2-3,6,10,13H,1,4-5,7-9,17H2.
What are the key properties of 5-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-amine?
5-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 285.35 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 65456100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).