2-[2-[3-(2-bicyclo[2.2.1]hept-5-enyl)-1,2,4-oxadiazol-5-yl]phenoxy]-N,N-dimethylethanamine

C19H23N3O2 — CID 70241406

IUPAC2-[2-[3-(2-bicyclo[2.2.1]hept-5-enyl)-1,2,4-oxadiazol-5-yl]phenoxy]-N,N-dimethylethanamine
SMILESCN(C)CCOc1ccccc1-c1nc(C2CC3C=CC2C3)no1
InChIInChI=1S/C19H23N3O2/c1-22(2)9-10-23-17-6-4-3-5-15(17)19-20-18(21-24-19)16-12-13-7-8-14(16)11-13/h3-8,13-14,16H,9-12H2,1-2H3
InChIKeyQXUBHPCRSNXILB-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.36
Rot. Bonds6

About 2-[2-[3-(2-bicyclo[2.2.1]hept-5-enyl)-1,2,4-oxadiazol-5-yl]phenoxy]-N,N-dimethylethanamine

2-[2-[3-(2-bicyclo[2.2.1]hept-5-enyl)-1,2,4-oxadiazol-5-yl]phenoxy]-N,N-dimethylethanamine (PubChem CID 70241406) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 2-[2-[3-(2-bicyclo[2.2.1]hept-5-enyl)-1,2,4-oxadiazol-5-yl]phenoxy]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[2-[3-(2-bicyclo[2.2.1]hept-5-enyl)-1,2,4-oxadiazol-5-yl]phenoxy]-N,N-dimethylethanamine
PubChem CID70241406
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name2-[2-[3-(2-bicyclo[2.2.1]hept-5-enyl)-1,2,4-oxadiazol-5-yl]phenoxy]-N,N-dimethylethanamine
SMILESCN(C)CCOc1ccccc1-c1nc(C2CC3C=CC2C3)no1
InChIInChI=1S/C19H23N3O2/c1-22(2)9-10-23-17-6-4-3-5-15(17)19-20-18(21-24-19)16-12-13-7-8-14(16)11-13/h3-8,13-14,16H,9-12H2,1-2H3
InChIKeyQXUBHPCRSNXILB-UHFFFAOYSA-N
XLogP3.36
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-(2-bicyclo[2.2.1]hept-5-enyl)-1,2,4-oxadiazol-5-yl]phenoxy]-N,N-dimethylethanamine?
The IUPAC name of 2-[2-[3-(2-bicyclo[2.2.1]hept-5-enyl)-1,2,4-oxadiazol-5-yl]phenoxy]-N,N-dimethylethanamine (CID 70241406) is 2-[2-[3-(2-bicyclo[2.2.1]hept-5-enyl)-1,2,4-oxadiazol-5-yl]phenoxy]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[2-[3-(2-bicyclo[2.2.1]hept-5-enyl)-1,2,4-oxadiazol-5-yl]phenoxy]-N,N-dimethylethanamine?
The canonical SMILES for 2-[2-[3-(2-bicyclo[2.2.1]hept-5-enyl)-1,2,4-oxadiazol-5-yl]phenoxy]-N,N-dimethylethanamine is CN(C)CCOc1ccccc1-c1nc(C2CC3C=CC2C3)no1.
What is the InChIKey of 2-[2-[3-(2-bicyclo[2.2.1]hept-5-enyl)-1,2,4-oxadiazol-5-yl]phenoxy]-N,N-dimethylethanamine?
The InChIKey is QXUBHPCRSNXILB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-22(2)9-10-23-17-6-4-3-5-15(17)19-20-18(21-24-19)16-12-13-7-8-14(16)11-13/h3-8,13-14,16H,9-12H2,1-2H3.
What are the key properties of 2-[2-[3-(2-bicyclo[2.2.1]hept-5-enyl)-1,2,4-oxadiazol-5-yl]phenoxy]-N,N-dimethylethanamine?
2-[2-[3-(2-bicyclo[2.2.1]hept-5-enyl)-1,2,4-oxadiazol-5-yl]phenoxy]-N,N-dimethylethanamine has a molecular weight of 325.41 g/mol, XLogP of 3.36, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-(2-bicyclo[2.2.1]hept-5-enyl)-1,2,4-oxadiazol-5-yl]phenoxy]-N,N-dimethylethanamine is sourced from PubChem (CID 70241406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).