N-benzyl-1-(3-benzyl-4,5-dihydro-1,2-oxazol-5-yl)-2-phenylethanamine

C25H26N2O — CID 19365236

IUPACN-benzyl-1-(3-benzyl-4,5-dihydro-1,2-oxazol-5-yl)-2-phenylethanamine
SMILESc1ccc(CNC(Cc2ccccc2)C2CC(Cc3ccccc3)=NO2)cc1
InChIInChI=1S/C25H26N2O/c1-4-10-20(11-5-1)16-23-18-25(28-27-23)24(17-21-12-6-2-7-13-21)26-19-22-14-8-3-9-15-22/h1-15,24-26H,16-19H2
InChIKeyKOQZBNCJOBTCKX-UHFFFAOYSA-N
MW370.50 g/mol
LogP4.78
Rot. Bonds8

About N-benzyl-1-(3-benzyl-4,5-dihydro-1,2-oxazol-5-yl)-2-phenylethanamine

N-benzyl-1-(3-benzyl-4,5-dihydro-1,2-oxazol-5-yl)-2-phenylethanamine (PubChem CID 19365236) has the molecular formula C25H26N2O and a molecular weight of 370.50 g/mol. Its IUPAC name is N-benzyl-1-(3-benzyl-4,5-dihydro-1,2-oxazol-5-yl)-2-phenylethanamine.

Molecular Properties

Compound NameN-benzyl-1-(3-benzyl-4,5-dihydro-1,2-oxazol-5-yl)-2-phenylethanamine
PubChem CID19365236
Molecular FormulaC25H26N2O
Molecular Weight370.50 g/mol
Exact Mass370.20
IUPAC NameN-benzyl-1-(3-benzyl-4,5-dihydro-1,2-oxazol-5-yl)-2-phenylethanamine
SMILESc1ccc(CNC(Cc2ccccc2)C2CC(Cc3ccccc3)=NO2)cc1
InChIInChI=1S/C25H26N2O/c1-4-10-20(11-5-1)16-23-18-25(28-27-23)24(17-21-12-6-2-7-13-21)26-19-22-14-8-3-9-15-22/h1-15,24-26H,16-19H2
InChIKeyKOQZBNCJOBTCKX-UHFFFAOYSA-N
XLogP4.78
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(3-benzyl-4,5-dihydro-1,2-oxazol-5-yl)-2-phenylethanamine?
The IUPAC name of N-benzyl-1-(3-benzyl-4,5-dihydro-1,2-oxazol-5-yl)-2-phenylethanamine (CID 19365236) is N-benzyl-1-(3-benzyl-4,5-dihydro-1,2-oxazol-5-yl)-2-phenylethanamine.
What is the SMILES notation for N-benzyl-1-(3-benzyl-4,5-dihydro-1,2-oxazol-5-yl)-2-phenylethanamine?
The canonical SMILES for N-benzyl-1-(3-benzyl-4,5-dihydro-1,2-oxazol-5-yl)-2-phenylethanamine is c1ccc(CNC(Cc2ccccc2)C2CC(Cc3ccccc3)=NO2)cc1.
What is the InChIKey of N-benzyl-1-(3-benzyl-4,5-dihydro-1,2-oxazol-5-yl)-2-phenylethanamine?
The InChIKey is KOQZBNCJOBTCKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O/c1-4-10-20(11-5-1)16-23-18-25(28-27-23)24(17-21-12-6-2-7-13-21)26-19-22-14-8-3-9-15-22/h1-15,24-26H,16-19H2.
What are the key properties of N-benzyl-1-(3-benzyl-4,5-dihydro-1,2-oxazol-5-yl)-2-phenylethanamine?
N-benzyl-1-(3-benzyl-4,5-dihydro-1,2-oxazol-5-yl)-2-phenylethanamine has a molecular weight of 370.50 g/mol, XLogP of 4.78, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(3-benzyl-4,5-dihydro-1,2-oxazol-5-yl)-2-phenylethanamine is sourced from PubChem (CID 19365236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).