1-(1,2-benzoxazol-3-ylmethyl)pyrrolidine-2,5-dione

C12H10N2O3 — CID 162373253

IUPAC1-(1,2-benzoxazol-3-ylmethyl)pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1Cc1noc2ccccc12
InChIInChI=1S/C12H10N2O3/c15-11-5-6-12(16)14(11)7-9-8-3-1-2-4-10(8)17-13-9/h1-4H,5-7H2
InChIKeyXBPGXBYMZDPWDB-UHFFFAOYSA-N
MW230.22 g/mol
LogP1.48
Rot. Bonds2

About 1-(1,2-benzoxazol-3-ylmethyl)pyrrolidine-2,5-dione

1-(1,2-benzoxazol-3-ylmethyl)pyrrolidine-2,5-dione (PubChem CID 162373253) has the molecular formula C12H10N2O3 and a molecular weight of 230.22 g/mol. Its IUPAC name is 1-(1,2-benzoxazol-3-ylmethyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(1,2-benzoxazol-3-ylmethyl)pyrrolidine-2,5-dione
PubChem CID162373253
Molecular FormulaC12H10N2O3
Molecular Weight230.22 g/mol
Exact Mass230.07
IUPAC Name1-(1,2-benzoxazol-3-ylmethyl)pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1Cc1noc2ccccc12
InChIInChI=1S/C12H10N2O3/c15-11-5-6-12(16)14(11)7-9-8-3-1-2-4-10(8)17-13-9/h1-4H,5-7H2
InChIKeyXBPGXBYMZDPWDB-UHFFFAOYSA-N
XLogP1.48
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(1,2-benzoxazol-3-ylmethyl)pyrrolidine-2,5-dione 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

3-[(3-fluoroazetidin-1-yl)methyl]-1,2-benzoxazole
CID 171326457
3-(bromomethyl)-1,2-benzoxazole
CID 3499189
2-(1,2-benzoxazol-3-yl)-1-(4-cyclopropylidenepiperidin-1-yl)ethanone
CID 121187000
3-[(4-quinolin-8-ylsulfonylpiperazin-1-yl)methyl]-1,2-benzoxazole
CID 20972280
3-[[4-(2,2,2-trifluoroethyl)piperidin-1-yl]methyl]-1,2-benzoxazole
CID 171326546
3-[[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]methyl]-1,2-benzoxazole
CID 171997360
3-[2-(4-benzylpiperazin-1-yl)ethyl]-1,2-benzoxazole
CID 18377472
2-(1,2-benzoxazol-3-yl)-1-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]ethanone
CID 79410823
3-(azepan-1-ylsulfonylmethyl)-1,2-benzoxazole
CID 90624413
3-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-1,2-benzoxazole
CID 46379731
[4-(1,2-benzoxazol-3-ylmethyl)piperazin-1-yl]-cyclohexylmethanone
CID 20972229
3-(methoxymethyl)-1,2-benzoxazole
CID 119083448

Frequently Asked Questions

What is the IUPAC name of 1-(1,2-benzoxazol-3-ylmethyl)pyrrolidine-2,5-dione?
The IUPAC name of 1-(1,2-benzoxazol-3-ylmethyl)pyrrolidine-2,5-dione (CID 162373253) is 1-(1,2-benzoxazol-3-ylmethyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(1,2-benzoxazol-3-ylmethyl)pyrrolidine-2,5-dione?
The canonical SMILES for 1-(1,2-benzoxazol-3-ylmethyl)pyrrolidine-2,5-dione is O=C1CCC(=O)N1Cc1noc2ccccc12.
What is the InChIKey of 1-(1,2-benzoxazol-3-ylmethyl)pyrrolidine-2,5-dione?
The InChIKey is XBPGXBYMZDPWDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O3/c15-11-5-6-12(16)14(11)7-9-8-3-1-2-4-10(8)17-13-9/h1-4H,5-7H2.
What are the key properties of 1-(1,2-benzoxazol-3-ylmethyl)pyrrolidine-2,5-dione?
1-(1,2-benzoxazol-3-ylmethyl)pyrrolidine-2,5-dione has a molecular weight of 230.22 g/mol, XLogP of 1.48, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-benzoxazol-3-ylmethyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 162373253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).