3-[4-[benzyl(methyl)amino]butyl]-5-phenyl-1,3,4-oxadiazol-2-one

C20H23N3O2 — CID 134152668

IUPAC3-[4-[benzyl(methyl)amino]butyl]-5-phenyl-1,3,4-oxadiazol-2-one
SMILESCN(CCCCn1nc(-c2ccccc2)oc1=O)Cc1ccccc1
InChIInChI=1S/C20H23N3O2/c1-22(16-17-10-4-2-5-11-17)14-8-9-15-23-20(24)25-19(21-23)18-12-6-3-7-13-18/h2-7,10-13H,8-9,14-16H2,1H3
InChIKeyOMJDAYNRUQBOOX-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.42
Rot. Bonds8

About 3-[4-[benzyl(methyl)amino]butyl]-5-phenyl-1,3,4-oxadiazol-2-one

3-[4-[benzyl(methyl)amino]butyl]-5-phenyl-1,3,4-oxadiazol-2-one (PubChem CID 134152668) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 3-[4-[benzyl(methyl)amino]butyl]-5-phenyl-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name3-[4-[benzyl(methyl)amino]butyl]-5-phenyl-1,3,4-oxadiazol-2-one
PubChem CID134152668
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name3-[4-[benzyl(methyl)amino]butyl]-5-phenyl-1,3,4-oxadiazol-2-one
SMILESCN(CCCCn1nc(-c2ccccc2)oc1=O)Cc1ccccc1
InChIInChI=1S/C20H23N3O2/c1-22(16-17-10-4-2-5-11-17)14-8-9-15-23-20(24)25-19(21-23)18-12-6-3-7-13-18/h2-7,10-13H,8-9,14-16H2,1H3
InChIKeyOMJDAYNRUQBOOX-UHFFFAOYSA-N
XLogP3.42
TPSA51.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 3-[4-[benzyl(methyl)amino]butyl]-5-phenyl-1,3,4-oxadiazol-2-one?
The IUPAC name of 3-[4-[benzyl(methyl)amino]butyl]-5-phenyl-1,3,4-oxadiazol-2-one (CID 134152668) is 3-[4-[benzyl(methyl)amino]butyl]-5-phenyl-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 3-[4-[benzyl(methyl)amino]butyl]-5-phenyl-1,3,4-oxadiazol-2-one?
The canonical SMILES for 3-[4-[benzyl(methyl)amino]butyl]-5-phenyl-1,3,4-oxadiazol-2-one is CN(CCCCn1nc(-c2ccccc2)oc1=O)Cc1ccccc1.
What is the InChIKey of 3-[4-[benzyl(methyl)amino]butyl]-5-phenyl-1,3,4-oxadiazol-2-one?
The InChIKey is OMJDAYNRUQBOOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-22(16-17-10-4-2-5-11-17)14-8-9-15-23-20(24)25-19(21-23)18-12-6-3-7-13-18/h2-7,10-13H,8-9,14-16H2,1H3.
What are the key properties of 3-[4-[benzyl(methyl)amino]butyl]-5-phenyl-1,3,4-oxadiazol-2-one?
3-[4-[benzyl(methyl)amino]butyl]-5-phenyl-1,3,4-oxadiazol-2-one has a molecular weight of 337.42 g/mol, XLogP of 3.42, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[benzyl(methyl)amino]butyl]-5-phenyl-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 134152668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).