2-methoxy-1-[5-(naphthalen-1-ylmethyl)-1,2,4-oxadiazol-3-yl]ethanamine

C16H17N3O2 — CID 104633735

IUPAC2-methoxy-1-[5-(naphthalen-1-ylmethyl)-1,2,4-oxadiazol-3-yl]ethanamine
SMILESCOCC(N)c1noc(Cc2cccc3ccccc23)n1
InChIInChI=1S/C16H17N3O2/c1-20-10-14(17)16-18-15(21-19-16)9-12-7-4-6-11-5-2-3-8-13(11)12/h2-8,14H,9-10,17H2,1H3
InChIKeyKMRWACVRAWLUGF-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.46
Rot. Bonds5

About 2-methoxy-1-[5-(naphthalen-1-ylmethyl)-1,2,4-oxadiazol-3-yl]ethanamine

2-methoxy-1-[5-(naphthalen-1-ylmethyl)-1,2,4-oxadiazol-3-yl]ethanamine (PubChem CID 104633735) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 2-methoxy-1-[5-(naphthalen-1-ylmethyl)-1,2,4-oxadiazol-3-yl]ethanamine.

Molecular Properties

Compound Name2-methoxy-1-[5-(naphthalen-1-ylmethyl)-1,2,4-oxadiazol-3-yl]ethanamine
PubChem CID104633735
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name2-methoxy-1-[5-(naphthalen-1-ylmethyl)-1,2,4-oxadiazol-3-yl]ethanamine
SMILESCOCC(N)c1noc(Cc2cccc3ccccc23)n1
InChIInChI=1S/C16H17N3O2/c1-20-10-14(17)16-18-15(21-19-16)9-12-7-4-6-11-5-2-3-8-13(11)12/h2-8,14H,9-10,17H2,1H3
InChIKeyKMRWACVRAWLUGF-UHFFFAOYSA-N
XLogP2.46
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-[5-(naphthalen-1-ylmethyl)-1,2,4-oxadiazol-3-yl]ethanamine?
The IUPAC name of 2-methoxy-1-[5-(naphthalen-1-ylmethyl)-1,2,4-oxadiazol-3-yl]ethanamine (CID 104633735) is 2-methoxy-1-[5-(naphthalen-1-ylmethyl)-1,2,4-oxadiazol-3-yl]ethanamine.
What is the SMILES notation for 2-methoxy-1-[5-(naphthalen-1-ylmethyl)-1,2,4-oxadiazol-3-yl]ethanamine?
The canonical SMILES for 2-methoxy-1-[5-(naphthalen-1-ylmethyl)-1,2,4-oxadiazol-3-yl]ethanamine is COCC(N)c1noc(Cc2cccc3ccccc23)n1.
What is the InChIKey of 2-methoxy-1-[5-(naphthalen-1-ylmethyl)-1,2,4-oxadiazol-3-yl]ethanamine?
The InChIKey is KMRWACVRAWLUGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-20-10-14(17)16-18-15(21-19-16)9-12-7-4-6-11-5-2-3-8-13(11)12/h2-8,14H,9-10,17H2,1H3.
What are the key properties of 2-methoxy-1-[5-(naphthalen-1-ylmethyl)-1,2,4-oxadiazol-3-yl]ethanamine?
2-methoxy-1-[5-(naphthalen-1-ylmethyl)-1,2,4-oxadiazol-3-yl]ethanamine has a molecular weight of 283.33 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-[5-(naphthalen-1-ylmethyl)-1,2,4-oxadiazol-3-yl]ethanamine is sourced from PubChem (CID 104633735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).