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

C16H21N3O2 — CID 63246972

IUPAC3-methoxy-1-[3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
SMILESCOCCC(N)c1nc(C2CCCc3ccccc32)no1
InChIInChI=1S/C16H21N3O2/c1-20-10-9-14(17)16-18-15(19-21-16)13-8-4-6-11-5-2-3-7-12(11)13/h2-3,5,7,13-14H,4,6,8-10,17H2,1H3
InChIKeyRENDEUIFXPYWHS-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.57
Rot. Bonds5

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

3-methoxy-1-[3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine (PubChem CID 63246972) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 3-methoxy-1-[3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine.

Molecular Properties

Compound Name3-methoxy-1-[3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
PubChem CID63246972
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name3-methoxy-1-[3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
SMILESCOCCC(N)c1nc(C2CCCc3ccccc32)no1
InChIInChI=1S/C16H21N3O2/c1-20-10-9-14(17)16-18-15(19-21-16)13-8-4-6-11-5-2-3-7-12(11)13/h2-3,5,7,13-14H,4,6,8-10,17H2,1H3
InChIKeyRENDEUIFXPYWHS-UHFFFAOYSA-N
XLogP2.57
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-[3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine?
The IUPAC name of 3-methoxy-1-[3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine (CID 63246972) is 3-methoxy-1-[3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine.
What is the SMILES notation for 3-methoxy-1-[3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine?
The canonical SMILES for 3-methoxy-1-[3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine is COCCC(N)c1nc(C2CCCc3ccccc32)no1.
What is the InChIKey of 3-methoxy-1-[3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine?
The InChIKey is RENDEUIFXPYWHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-20-10-9-14(17)16-18-15(19-21-16)13-8-4-6-11-5-2-3-7-12(11)13/h2-3,5,7,13-14H,4,6,8-10,17H2,1H3.
What are the key properties of 3-methoxy-1-[3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine?
3-methoxy-1-[3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine has a molecular weight of 287.36 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-[3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine is sourced from PubChem (CID 63246972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).