N-[[3-(1,3-benzodioxol-5-yl)-1,2-oxazol-5-yl]methyl]-N-ethyl-2-(4-phenylpiperazin-1-yl)ethanamine

C25H30N4O3 — CID 142679665

IUPACN-[[3-(1,3-benzodioxol-5-yl)-1,2-oxazol-5-yl]methyl]-N-ethyl-2-(4-phenylpiperazin-1-yl)ethanamine
SMILESCCN(CCN1CCN(c2ccccc2)CC1)Cc1cc(-c2ccc3c(c2)OCO3)no1
InChIInChI=1S/C25H30N4O3/c1-2-27(10-11-28-12-14-29(15-13-28)21-6-4-3-5-7-21)18-22-17-23(26-32-22)20-8-9-24-25(16-20)31-19-30-24/h3-9,16-17H,2,10-15,18-19H2,1H3
InChIKeyROKGGRQHPZCYGJ-UHFFFAOYSA-N
MW434.54 g/mol
LogP3.71
Rot. Bonds8

About N-[[3-(1,3-benzodioxol-5-yl)-1,2-oxazol-5-yl]methyl]-N-ethyl-2-(4-phenylpiperazin-1-yl)ethanamine

N-[[3-(1,3-benzodioxol-5-yl)-1,2-oxazol-5-yl]methyl]-N-ethyl-2-(4-phenylpiperazin-1-yl)ethanamine (PubChem CID 142679665) has the molecular formula C25H30N4O3 and a molecular weight of 434.54 g/mol. Its IUPAC name is N-[[3-(1,3-benzodioxol-5-yl)-1,2-oxazol-5-yl]methyl]-N-ethyl-2-(4-phenylpiperazin-1-yl)ethanamine.

Molecular Properties

Compound NameN-[[3-(1,3-benzodioxol-5-yl)-1,2-oxazol-5-yl]methyl]-N-ethyl-2-(4-phenylpiperazin-1-yl)ethanamine
PubChem CID142679665
Molecular FormulaC25H30N4O3
Molecular Weight434.54 g/mol
Exact Mass434.23
IUPAC NameN-[[3-(1,3-benzodioxol-5-yl)-1,2-oxazol-5-yl]methyl]-N-ethyl-2-(4-phenylpiperazin-1-yl)ethanamine
SMILESCCN(CCN1CCN(c2ccccc2)CC1)Cc1cc(-c2ccc3c(c2)OCO3)no1
InChIInChI=1S/C25H30N4O3/c1-2-27(10-11-28-12-14-29(15-13-28)21-6-4-3-5-7-21)18-22-17-23(26-32-22)20-8-9-24-25(16-20)31-19-30-24/h3-9,16-17H,2,10-15,18-19H2,1H3
InChIKeyROKGGRQHPZCYGJ-UHFFFAOYSA-N
XLogP3.71
TPSA54.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-[[3-(1,3-benzodioxol-5-yl)-1,2-oxazol-5-yl]methyl]-N-ethyl-2-(4-phenylpiperazin-1-yl)ethanamine 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

N-[[3-(1,3-benzodioxol-5-yl)-1,2-oxazol-5-yl]methyl]-N-methyl-2-(4-pyridin-2-ylpiperazin-1-yl)ethanamine
CID 142679452
N-[[3-(1,3-benzodioxol-5-yl)-1,2-oxazol-5-yl]methyl]-3-[4-(3-chlorophenyl)piperazin-1-yl]propan-1-amine
CID 142679836
N-ethyl-N-[(3-naphthalen-1-yl-1,2-oxazol-5-yl)methyl]-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanamine
CID 142679517
N-ethyl-3-[4-(4-methylphenyl)piperazin-1-yl]-N-[[3-[4-(trifluoromethoxy)phenyl]-1,2-oxazol-5-yl]methyl]propan-1-amine
CID 142679599
1-[3-[[3-(1,3-benzodioxol-5-yl)-1,2-oxazol-5-yl]methyl-methylamino]propyl]-4-phenylpiperidine-4-carbonitrile
CID 142679559
N-[[3-(1,3-benzodioxol-5-yl)-1,2-oxazol-5-yl]methyl]-2-[4-(2,4-dimethylphenyl)piperazin-1-yl]ethanamine
CID 142679500
N-ethyl-N-[(3-naphthalen-1-yl-1,2-oxazol-5-yl)methyl]-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-amine
CID 142679762
N-methyl-3-[4-(4-methylphenyl)piperazin-1-yl]-N-[(3-naphthalen-1-yl-1,2-oxazol-5-yl)methyl]propan-1-amine
CID 142679739
6-(1,3-benzodioxol-5-yl)-2-[2-(diethylamino)ethyl]pyridazin-3-one
CID 7664039
1-[[3-(1,3-benzodioxol-5-yl)-1-phenylpyrazol-4-yl]methyl]-4-pyridin-4-ylpiperazine
CID 56713644
N-methyl-N-[[3-(4-phenylmethoxyphenyl)-1,2-oxazol-5-yl]methyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanamine
CID 142679984
1,3-benzodioxol-5-ylmethyl-[[3-(1,3-benzodioxol-5-yl)-1,2-oxazol-5-yl]methyl]azanium
CID 7357343

Frequently Asked Questions

What is the IUPAC name of N-[[3-(1,3-benzodioxol-5-yl)-1,2-oxazol-5-yl]methyl]-N-ethyl-2-(4-phenylpiperazin-1-yl)ethanamine?
The IUPAC name of N-[[3-(1,3-benzodioxol-5-yl)-1,2-oxazol-5-yl]methyl]-N-ethyl-2-(4-phenylpiperazin-1-yl)ethanamine (CID 142679665) is N-[[3-(1,3-benzodioxol-5-yl)-1,2-oxazol-5-yl]methyl]-N-ethyl-2-(4-phenylpiperazin-1-yl)ethanamine.
What is the SMILES notation for N-[[3-(1,3-benzodioxol-5-yl)-1,2-oxazol-5-yl]methyl]-N-ethyl-2-(4-phenylpiperazin-1-yl)ethanamine?
The canonical SMILES for N-[[3-(1,3-benzodioxol-5-yl)-1,2-oxazol-5-yl]methyl]-N-ethyl-2-(4-phenylpiperazin-1-yl)ethanamine is CCN(CCN1CCN(c2ccccc2)CC1)Cc1cc(-c2ccc3c(c2)OCO3)no1.
What is the InChIKey of N-[[3-(1,3-benzodioxol-5-yl)-1,2-oxazol-5-yl]methyl]-N-ethyl-2-(4-phenylpiperazin-1-yl)ethanamine?
The InChIKey is ROKGGRQHPZCYGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O3/c1-2-27(10-11-28-12-14-29(15-13-28)21-6-4-3-5-7-21)18-22-17-23(26-32-22)20-8-9-24-25(16-20)31-19-30-24/h3-9,16-17H,2,10-15,18-19H2,1H3.
What are the key properties of N-[[3-(1,3-benzodioxol-5-yl)-1,2-oxazol-5-yl]methyl]-N-ethyl-2-(4-phenylpiperazin-1-yl)ethanamine?
N-[[3-(1,3-benzodioxol-5-yl)-1,2-oxazol-5-yl]methyl]-N-ethyl-2-(4-phenylpiperazin-1-yl)ethanamine has a molecular weight of 434.54 g/mol, XLogP of 3.71, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(1,3-benzodioxol-5-yl)-1,2-oxazol-5-yl]methyl]-N-ethyl-2-(4-phenylpiperazin-1-yl)ethanamine is sourced from PubChem (CID 142679665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).