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

C15H15N3O — CID 55035099

IUPAC1-[5-(naphthalen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]ethanamine
SMILESCC(N)c1nnc(Cc2ccc3ccccc3c2)o1
InChIInChI=1S/C15H15N3O/c1-10(16)15-18-17-14(19-15)9-11-6-7-12-4-2-3-5-13(12)8-11/h2-8,10H,9,16H2,1H3
InChIKeyNCCJQMHLBMSILB-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.83
Rot. Bonds3

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

1-[5-(naphthalen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]ethanamine (PubChem CID 55035099) has the molecular formula C15H15N3O and a molecular weight of 253.31 g/mol. Its IUPAC name is 1-[5-(naphthalen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]ethanamine.

Molecular Properties

Compound Name1-[5-(naphthalen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]ethanamine
PubChem CID55035099
Molecular FormulaC15H15N3O
Molecular Weight253.31 g/mol
Exact Mass253.12
IUPAC Name1-[5-(naphthalen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]ethanamine
SMILESCC(N)c1nnc(Cc2ccc3ccccc3c2)o1
InChIInChI=1S/C15H15N3O/c1-10(16)15-18-17-14(19-15)9-11-6-7-12-4-2-3-5-13(12)8-11/h2-8,10H,9,16H2,1H3
InChIKeyNCCJQMHLBMSILB-UHFFFAOYSA-N
XLogP2.83
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(naphthalen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]ethanamine?
The IUPAC name of 1-[5-(naphthalen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]ethanamine (CID 55035099) is 1-[5-(naphthalen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]ethanamine.
What is the SMILES notation for 1-[5-(naphthalen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]ethanamine?
The canonical SMILES for 1-[5-(naphthalen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]ethanamine is CC(N)c1nnc(Cc2ccc3ccccc3c2)o1.
What is the InChIKey of 1-[5-(naphthalen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]ethanamine?
The InChIKey is NCCJQMHLBMSILB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c1-10(16)15-18-17-14(19-15)9-11-6-7-12-4-2-3-5-13(12)8-11/h2-8,10H,9,16H2,1H3.
What are the key properties of 1-[5-(naphthalen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]ethanamine?
1-[5-(naphthalen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]ethanamine has a molecular weight of 253.31 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(naphthalen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]ethanamine is sourced from PubChem (CID 55035099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).