3-[3-[4-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperazin-1-yl]-1,5-dimethylpyrazol-4-yl]-1,3-oxazolidin-2-one

C21H27N5O4 — CID 135262088

IUPAC3-[3-[4-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperazin-1-yl]-1,5-dimethylpyrazol-4-yl]-1,3-oxazolidin-2-one
SMILESCc1c(N2CCOC2=O)c(N2CCN(CC3COc4ccccc4O3)CC2)nn1C
InChIInChI=1S/C21H27N5O4/c1-15-19(26-11-12-28-21(26)27)20(22-23(15)2)25-9-7-24(8-10-25)13-16-14-29-17-5-3-4-6-18(17)30-16/h3-6,16H,7-14H2,1-2H3
InChIKeyXVFDLAWMSPGGKP-UHFFFAOYSA-N
MW413.48 g/mol
LogP1.65
Rot. Bonds4

About 3-[3-[4-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperazin-1-yl]-1,5-dimethylpyrazol-4-yl]-1,3-oxazolidin-2-one

3-[3-[4-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperazin-1-yl]-1,5-dimethylpyrazol-4-yl]-1,3-oxazolidin-2-one (PubChem CID 135262088) has the molecular formula C21H27N5O4 and a molecular weight of 413.48 g/mol. Its IUPAC name is 3-[3-[4-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperazin-1-yl]-1,5-dimethylpyrazol-4-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[3-[4-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperazin-1-yl]-1,5-dimethylpyrazol-4-yl]-1,3-oxazolidin-2-one
PubChem CID135262088
Molecular FormulaC21H27N5O4
Molecular Weight413.48 g/mol
Exact Mass413.21
IUPAC Name3-[3-[4-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperazin-1-yl]-1,5-dimethylpyrazol-4-yl]-1,3-oxazolidin-2-one
SMILESCc1c(N2CCOC2=O)c(N2CCN(CC3COc4ccccc4O3)CC2)nn1C
InChIInChI=1S/C21H27N5O4/c1-15-19(26-11-12-28-21(26)27)20(22-23(15)2)25-9-7-24(8-10-25)13-16-14-29-17-5-3-4-6-18(17)30-16/h3-6,16H,7-14H2,1-2H3
InChIKeyXVFDLAWMSPGGKP-UHFFFAOYSA-N
XLogP1.65
TPSA72.30 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3-[3-[4-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperazin-1-yl]-1,5-dimethylpyrazol-4-yl]-1,3-oxazolidin-2-one 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-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-[4-(methoxymethyl)-1,5-dimethylpyrazol-3-yl]piperazine
CID 135262060
1-[4-[4-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperazin-1-yl]-1,2,5-thiadiazol-3-yl]pyrrolidin-2-one;ethane
CID 145196746
1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-propylpiperazine;dihydrochloride
CID 52997126
1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-one
CID 13253821
4-[4-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperazin-1-yl]-5-(methoxymethyl)-1,3-thiazole
CID 135262305
1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidine
CID 6040
1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-(2-propylphenyl)piperazine
CID 46209304
2-[4-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperazin-1-yl]pyrazine
CID 14371343
1-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidine;hydrochloride
CID 15559215
1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidine;hydrochloride
CID 15559214
1-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-methylimidazolidine-2,4,5-trione
CID 9375612
2-[4-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperazin-1-yl]ethyl acetate
CID 3040911

Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperazin-1-yl]-1,5-dimethylpyrazol-4-yl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[3-[4-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperazin-1-yl]-1,5-dimethylpyrazol-4-yl]-1,3-oxazolidin-2-one (CID 135262088) is 3-[3-[4-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperazin-1-yl]-1,5-dimethylpyrazol-4-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[3-[4-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperazin-1-yl]-1,5-dimethylpyrazol-4-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[3-[4-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperazin-1-yl]-1,5-dimethylpyrazol-4-yl]-1,3-oxazolidin-2-one is Cc1c(N2CCOC2=O)c(N2CCN(CC3COc4ccccc4O3)CC2)nn1C.
What is the InChIKey of 3-[3-[4-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperazin-1-yl]-1,5-dimethylpyrazol-4-yl]-1,3-oxazolidin-2-one?
The InChIKey is XVFDLAWMSPGGKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O4/c1-15-19(26-11-12-28-21(26)27)20(22-23(15)2)25-9-7-24(8-10-25)13-16-14-29-17-5-3-4-6-18(17)30-16/h3-6,16H,7-14H2,1-2H3.
What are the key properties of 3-[3-[4-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperazin-1-yl]-1,5-dimethylpyrazol-4-yl]-1,3-oxazolidin-2-one?
3-[3-[4-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperazin-1-yl]-1,5-dimethylpyrazol-4-yl]-1,3-oxazolidin-2-one has a molecular weight of 413.48 g/mol, XLogP of 1.65, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[4-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperazin-1-yl]-1,5-dimethylpyrazol-4-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 135262088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).