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

C17H19N3O — CID 62137262

IUPACN-ethyl-3-(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)propan-1-amine
SMILESCCNCCCc1nnc(-c2cccc3ccccc23)o1
InChIInChI=1S/C17H19N3O/c1-2-18-12-6-11-16-19-20-17(21-16)15-10-5-8-13-7-3-4-9-14(13)15/h3-5,7-10,18H,2,6,11-12H2,1H3
InChIKeyHYEGCVVWEZILMM-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.43
Rot. Bonds6

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

N-ethyl-3-(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)propan-1-amine (PubChem CID 62137262) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is N-ethyl-3-(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)propan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)propan-1-amine
PubChem CID62137262
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC NameN-ethyl-3-(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)propan-1-amine
SMILESCCNCCCc1nnc(-c2cccc3ccccc23)o1
InChIInChI=1S/C17H19N3O/c1-2-18-12-6-11-16-19-20-17(21-16)15-10-5-8-13-7-3-4-9-14(13)15/h3-5,7-10,18H,2,6,11-12H2,1H3
InChIKeyHYEGCVVWEZILMM-UHFFFAOYSA-N
XLogP3.43
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.43
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-3-(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)propan-1-amine?
The IUPAC name of N-ethyl-3-(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)propan-1-amine (CID 62137262) is N-ethyl-3-(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)propan-1-amine.
What is the SMILES notation for N-ethyl-3-(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)propan-1-amine?
The canonical SMILES for N-ethyl-3-(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)propan-1-amine is CCNCCCc1nnc(-c2cccc3ccccc23)o1.
What is the InChIKey of N-ethyl-3-(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)propan-1-amine?
The InChIKey is HYEGCVVWEZILMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-2-18-12-6-11-16-19-20-17(21-16)15-10-5-8-13-7-3-4-9-14(13)15/h3-5,7-10,18H,2,6,11-12H2,1H3.
What are the key properties of N-ethyl-3-(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)propan-1-amine?
N-ethyl-3-(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)propan-1-amine has a molecular weight of 281.36 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)propan-1-amine is sourced from PubChem (CID 62137262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).