N-ethyl-2-(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)ethanamine

C16H17N3O — CID 62164993

IUPACN-ethyl-2-(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)ethanamine
SMILESCCNCCc1nnc(-c2cccc3ccccc23)o1
InChIInChI=1S/C16H17N3O/c1-2-17-11-10-15-18-19-16(20-15)14-9-5-7-12-6-3-4-8-13(12)14/h3-9,17H,2,10-11H2,1H3
InChIKeyVESASRQMGZDDIK-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.04
Rot. Bonds5

About N-ethyl-2-(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)ethanamine

N-ethyl-2-(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)ethanamine (PubChem CID 62164993) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is N-ethyl-2-(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)ethanamine.

Molecular Properties

Compound NameN-ethyl-2-(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)ethanamine
PubChem CID62164993
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC NameN-ethyl-2-(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)ethanamine
SMILESCCNCCc1nnc(-c2cccc3ccccc23)o1
InChIInChI=1S/C16H17N3O/c1-2-17-11-10-15-18-19-16(20-15)14-9-5-7-12-6-3-4-8-13(12)14/h3-9,17H,2,10-11H2,1H3
InChIKeyVESASRQMGZDDIK-UHFFFAOYSA-N
XLogP3.04
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)ethanamine?
The IUPAC name of N-ethyl-2-(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)ethanamine (CID 62164993) is N-ethyl-2-(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)ethanamine.
What is the SMILES notation for N-ethyl-2-(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)ethanamine?
The canonical SMILES for N-ethyl-2-(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)ethanamine is CCNCCc1nnc(-c2cccc3ccccc23)o1.
What is the InChIKey of N-ethyl-2-(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)ethanamine?
The InChIKey is VESASRQMGZDDIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-2-17-11-10-15-18-19-16(20-15)14-9-5-7-12-6-3-4-8-13(12)14/h3-9,17H,2,10-11H2,1H3.
What are the key properties of N-ethyl-2-(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)ethanamine?
N-ethyl-2-(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)ethanamine has a molecular weight of 267.33 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)ethanamine is sourced from PubChem (CID 62164993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).