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

C20H24N2O — CID 19365204

IUPAC1-(3-benzyl-4,5-dihydro-1,2-oxazol-5-yl)-N-ethyl-2-phenylethanamine
SMILESCCNC(Cc1ccccc1)C1CC(Cc2ccccc2)=NO1
InChIInChI=1S/C20H24N2O/c1-2-21-19(14-17-11-7-4-8-12-17)20-15-18(22-23-20)13-16-9-5-3-6-10-16/h3-12,19-21H,2,13-15H2,1H3
InChIKeyVCBHVNKXVZGAKO-UHFFFAOYSA-N
MW308.43 g/mol
LogP3.59
Rot. Bonds7

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

1-(3-benzyl-4,5-dihydro-1,2-oxazol-5-yl)-N-ethyl-2-phenylethanamine (PubChem CID 19365204) has the molecular formula C20H24N2O and a molecular weight of 308.43 g/mol. Its IUPAC name is 1-(3-benzyl-4,5-dihydro-1,2-oxazol-5-yl)-N-ethyl-2-phenylethanamine.

Molecular Properties

Compound Name1-(3-benzyl-4,5-dihydro-1,2-oxazol-5-yl)-N-ethyl-2-phenylethanamine
PubChem CID19365204
Molecular FormulaC20H24N2O
Molecular Weight308.43 g/mol
Exact Mass308.19
IUPAC Name1-(3-benzyl-4,5-dihydro-1,2-oxazol-5-yl)-N-ethyl-2-phenylethanamine
SMILESCCNC(Cc1ccccc1)C1CC(Cc2ccccc2)=NO1
InChIInChI=1S/C20H24N2O/c1-2-21-19(14-17-11-7-4-8-12-17)20-15-18(22-23-20)13-16-9-5-3-6-10-16/h3-12,19-21H,2,13-15H2,1H3
InChIKeyVCBHVNKXVZGAKO-UHFFFAOYSA-N
XLogP3.59
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3-benzyl-4,5-dihydro-1,2-oxazol-5-yl)-N-ethyl-2-phenylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-benzyl-4,5-dihydro-1,2-oxazol-5-yl)-N,N-dimethylmethanamine
CID 56648594
1-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-methylmethanamine
CID 24715265
1-[3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-methylmethanamine
CID 24715480
N-[[3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]prop-2-en-1-amine
CID 24715614
1-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-[(3-fluorophenyl)methyl]methanamine
CID 24715618
(2E)-N-{[3-(4-fluorobenzyl)-4,5-dihydro-5-isoxazolyl]methyl}-3-phenylacrylamide
CID 45168383
N-{[3-(4-fluorobenzyl)-4,5-dihydro-5-isoxazolyl]methyl}-3-phenyl-2-propynamide
CID 45211845
N-[(2,4-difluorophenyl)methyl]-1-[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanamine
CID 45948148
N-[(2,4-difluorophenyl)methyl]-1-[3-(2-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanamine
CID 45950061
N-[(3-fluorophenyl)methyl]-1-[3-(2-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanamine
CID 45950063
N-[(2,4-difluorophenyl)methyl]-1-[3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanamine
CID 45950069
1-[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]methanamine
CID 46137695

Frequently Asked Questions

What is the IUPAC name of 1-(3-benzyl-4,5-dihydro-1,2-oxazol-5-yl)-N-ethyl-2-phenylethanamine?
The IUPAC name of 1-(3-benzyl-4,5-dihydro-1,2-oxazol-5-yl)-N-ethyl-2-phenylethanamine (CID 19365204) is 1-(3-benzyl-4,5-dihydro-1,2-oxazol-5-yl)-N-ethyl-2-phenylethanamine.
What is the SMILES notation for 1-(3-benzyl-4,5-dihydro-1,2-oxazol-5-yl)-N-ethyl-2-phenylethanamine?
The canonical SMILES for 1-(3-benzyl-4,5-dihydro-1,2-oxazol-5-yl)-N-ethyl-2-phenylethanamine is CCNC(Cc1ccccc1)C1CC(Cc2ccccc2)=NO1.
What is the InChIKey of 1-(3-benzyl-4,5-dihydro-1,2-oxazol-5-yl)-N-ethyl-2-phenylethanamine?
The InChIKey is VCBHVNKXVZGAKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O/c1-2-21-19(14-17-11-7-4-8-12-17)20-15-18(22-23-20)13-16-9-5-3-6-10-16/h3-12,19-21H,2,13-15H2,1H3.
What are the key properties of 1-(3-benzyl-4,5-dihydro-1,2-oxazol-5-yl)-N-ethyl-2-phenylethanamine?
1-(3-benzyl-4,5-dihydro-1,2-oxazol-5-yl)-N-ethyl-2-phenylethanamine has a molecular weight of 308.43 g/mol, XLogP of 3.59, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-benzyl-4,5-dihydro-1,2-oxazol-5-yl)-N-ethyl-2-phenylethanamine is sourced from PubChem (CID 19365204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).