1-[4-[(4-methyl-2-phenyl-1,3-oxazol-5-yl)methyl]piperazin-1-yl]pyrrolidine-2,5-dione

C19H22N4O3 — CID 141382853

IUPAC1-[4-[(4-methyl-2-phenyl-1,3-oxazol-5-yl)methyl]piperazin-1-yl]pyrrolidine-2,5-dione
SMILESCc1nc(-c2ccccc2)oc1CN1CCN(N2C(=O)CCC2=O)CC1
InChIInChI=1S/C19H22N4O3/c1-14-16(26-19(20-14)15-5-3-2-4-6-15)13-21-9-11-22(12-10-21)23-17(24)7-8-18(23)25/h2-6H,7-13H2,1H3
InChIKeyJBWCIXWIHBIANM-UHFFFAOYSA-N
MW354.41 g/mol
LogP1.83
Rot. Bonds4

About 1-[4-[(4-methyl-2-phenyl-1,3-oxazol-5-yl)methyl]piperazin-1-yl]pyrrolidine-2,5-dione

1-[4-[(4-methyl-2-phenyl-1,3-oxazol-5-yl)methyl]piperazin-1-yl]pyrrolidine-2,5-dione (PubChem CID 141382853) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is 1-[4-[(4-methyl-2-phenyl-1,3-oxazol-5-yl)methyl]piperazin-1-yl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[4-[(4-methyl-2-phenyl-1,3-oxazol-5-yl)methyl]piperazin-1-yl]pyrrolidine-2,5-dione
PubChem CID141382853
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC Name1-[4-[(4-methyl-2-phenyl-1,3-oxazol-5-yl)methyl]piperazin-1-yl]pyrrolidine-2,5-dione
SMILESCc1nc(-c2ccccc2)oc1CN1CCN(N2C(=O)CCC2=O)CC1
InChIInChI=1S/C19H22N4O3/c1-14-16(26-19(20-14)15-5-3-2-4-6-15)13-21-9-11-22(12-10-21)23-17(24)7-8-18(23)25/h2-6H,7-13H2,1H3
InChIKeyJBWCIXWIHBIANM-UHFFFAOYSA-N
XLogP1.83
TPSA69.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 1-[4-[(4-methyl-2-phenyl-1,3-oxazol-5-yl)methyl]piperazin-1-yl]pyrrolidine-2,5-dione with MolForge

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Related Compounds

4-methyl-5-[[(4-methyl-2-phenyl-1,3-oxazol-5-yl)methyldisulfanyl]methyl]-2-phenyl-1,3-oxazole
CID 54022373
4-methyl-5-(methylsulfanylmethyl)-2-phenyl-1,3-oxazole
CID 54240728
N-cyclohexyl-2-(4-methyl-2-phenyl-1,3-oxazol-5-yl)acetamide
CID 110647492
N-cycloheptyl-2-(4-methyl-2-phenyl-1,3-oxazol-5-yl)acetamide
CID 110649225
cis-(1S,2R)-2-[1-[(4-methyl-2-phenyl-1,3-oxazol-5-yl)methyl]triazol-4-yl]cyclopropane-1-carboxylic acid
CID 167945211
5-(2-ethoxyethyl)-4-methyl-2-phenyl-1,3-oxazole
CID 71379706
5-methyl-4-[[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]methyl]-2-phenyl-1,3-oxazole
CID 52675581
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-(4-methyl-2-phenyl-1,3-oxazol-5-yl)ethanone
CID 110648997
3-[[3-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]-1,2,4,5-tetrahydro-3-benzazepin-7-yl]oxy]propanoic acid
CID 143563930
1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(4-methyl-2-phenyl-1,3-oxazol-5-yl)ethanone
CID 110648953
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(4-methyl-2-phenyl-1,3-oxazol-5-yl)ethanone
CID 110648973
5-[[4-(2,6-difluorophenyl)piperidin-1-yl]methyl]-2-phenyl-1,3-oxazole-4-carboxylic acid
CID 166307804

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-methyl-2-phenyl-1,3-oxazol-5-yl)methyl]piperazin-1-yl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[4-[(4-methyl-2-phenyl-1,3-oxazol-5-yl)methyl]piperazin-1-yl]pyrrolidine-2,5-dione (CID 141382853) is 1-[4-[(4-methyl-2-phenyl-1,3-oxazol-5-yl)methyl]piperazin-1-yl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[4-[(4-methyl-2-phenyl-1,3-oxazol-5-yl)methyl]piperazin-1-yl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[4-[(4-methyl-2-phenyl-1,3-oxazol-5-yl)methyl]piperazin-1-yl]pyrrolidine-2,5-dione is Cc1nc(-c2ccccc2)oc1CN1CCN(N2C(=O)CCC2=O)CC1.
What is the InChIKey of 1-[4-[(4-methyl-2-phenyl-1,3-oxazol-5-yl)methyl]piperazin-1-yl]pyrrolidine-2,5-dione?
The InChIKey is JBWCIXWIHBIANM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3/c1-14-16(26-19(20-14)15-5-3-2-4-6-15)13-21-9-11-22(12-10-21)23-17(24)7-8-18(23)25/h2-6H,7-13H2,1H3.
What are the key properties of 1-[4-[(4-methyl-2-phenyl-1,3-oxazol-5-yl)methyl]piperazin-1-yl]pyrrolidine-2,5-dione?
1-[4-[(4-methyl-2-phenyl-1,3-oxazol-5-yl)methyl]piperazin-1-yl]pyrrolidine-2,5-dione has a molecular weight of 354.41 g/mol, XLogP of 1.83, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-methyl-2-phenyl-1,3-oxazol-5-yl)methyl]piperazin-1-yl]pyrrolidine-2,5-dione is sourced from PubChem (CID 141382853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).