2-methoxy-N-[[3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine

C16H21N3O2 — CID 63757945

IUPAC2-methoxy-N-[[3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine
SMILESCOCCNCc1nc(C2CCCc3ccccc32)no1
InChIInChI=1S/C16H21N3O2/c1-20-10-9-17-11-15-18-16(19-21-15)14-8-4-6-12-5-2-3-7-13(12)14/h2-3,5,7,14,17H,4,6,8-11H2,1H3
InChIKeyJKHLOXKBTXIFRK-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.27
Rot. Bonds6

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

2-methoxy-N-[[3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine (PubChem CID 63757945) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-methoxy-N-[[3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine
PubChem CID63757945
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name2-methoxy-N-[[3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine
SMILESCOCCNCc1nc(C2CCCc3ccccc32)no1
InChIInChI=1S/C16H21N3O2/c1-20-10-9-17-11-15-18-16(19-21-15)14-8-4-6-12-5-2-3-7-13(12)14/h2-3,5,7,14,17H,4,6,8-11H2,1H3
InChIKeyJKHLOXKBTXIFRK-UHFFFAOYSA-N
XLogP2.27
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine
CID 63247100
3-methoxy-1-[3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 63246972
4-[3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-oxadiazol-5-yl]butan-1-ol
CID 79191189
1-[3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 63350351
1-[3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-oxadiazol-5-yl]pentan-2-ol
CID 63349766
2-[3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 55174707
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine
CID 60976106
1,1-difluoro-3-[3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-oxadiazol-5-yl]propan-2-one
CID 63345093
1-[3-(2,3-dihydro-1H-inden-1-yl)-1,2,4-oxadiazol-5-yl]-3-methoxypropan-2-one
CID 65405086
3-[3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 63350305
2-methoxy-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
CID 60646666
N-methyl-3-[3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 63350528

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine (CID 63757945) is 2-methoxy-N-[[3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine is COCCNCc1nc(C2CCCc3ccccc32)no1.
What is the InChIKey of 2-methoxy-N-[[3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine?
The InChIKey is JKHLOXKBTXIFRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-20-10-9-17-11-15-18-16(19-21-15)14-8-4-6-12-5-2-3-7-13(12)14/h2-3,5,7,14,17H,4,6,8-11H2,1H3.
What are the key properties of 2-methoxy-N-[[3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine?
2-methoxy-N-[[3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine has a molecular weight of 287.36 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 63757945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).