2-[2-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)amino]ethyl]isoindole-1,3-dione

C18H15N3O4 — CID 75478267

IUPAC2-[2-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)amino]ethyl]isoindole-1,3-dione
SMILESCn1c(=O)oc2ccc(NCCN3C(=O)c4ccccc4C3=O)cc21
InChIInChI=1S/C18H15N3O4/c1-20-14-10-11(6-7-15(14)25-18(20)24)19-8-9-21-16(22)12-4-2-3-5-13(12)17(21)23/h2-7,10,19H,8-9H2,1H3
InChIKeyVVSYPLYBHGFRSC-UHFFFAOYSA-N
MW337.34 g/mol
LogP1.84
Rot. Bonds4

About 2-[2-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)amino]ethyl]isoindole-1,3-dione

2-[2-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)amino]ethyl]isoindole-1,3-dione (PubChem CID 75478267) has the molecular formula C18H15N3O4 and a molecular weight of 337.34 g/mol. Its IUPAC name is 2-[2-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)amino]ethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)amino]ethyl]isoindole-1,3-dione
PubChem CID75478267
Molecular FormulaC18H15N3O4
Molecular Weight337.34 g/mol
Exact Mass337.11
IUPAC Name2-[2-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)amino]ethyl]isoindole-1,3-dione
SMILESCn1c(=O)oc2ccc(NCCN3C(=O)c4ccccc4C3=O)cc21
InChIInChI=1S/C18H15N3O4/c1-20-14-10-11(6-7-15(14)25-18(20)24)19-8-9-21-16(22)12-4-2-3-5-13(12)17(21)23/h2-7,10,19H,8-9H2,1H3
InChIKeyVVSYPLYBHGFRSC-UHFFFAOYSA-N
XLogP1.84
TPSA84.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.34
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[2-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)amino]ethyl]isoindole-1,3-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-methyl-5-(3-oxobutylamino)-1,3-benzoxazol-2-one
CID 115235442
2-[2-(1,3-dihydro-2-benzofuran-5-ylamino)ethyl]isoindole-1,3-dione
CID 86793063
methyl 4-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)amino]butanoate
CID 115233318
5-(2-aminoanilino)-3-methyl-1,3-benzoxazol-2-one
CID 115124313
3-hydroxy-4-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)amino]butanoic acid
CID 115122894
3-(2-fluorophenyl)-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)propanamide
CID 110607968
2,2,2-trifluoro-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)acetamide
CID 115190137
3-methyl-6-[3-(methylamino)propylamino]-1,3-benzoxazol-2-one
CID 115197727
3-methyl-6-(3-sulfanylpropylamino)-1,3-benzoxazol-2-one
CID 115224646
3-(methylamino)-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)propanamide
CID 83547008
5-methyl-3-[2-(3-methylanilino)ethyl]-1,3-benzoxazol-2-one
CID 176909803
2-[2-[2-[2-(1,3-dioxoisoindol-2-yl)ethylamino]ethylamino]ethyl]isoindole-1,3-dione
CID 3090844

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)amino]ethyl]isoindole-1,3-dione?
The IUPAC name of 2-[2-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)amino]ethyl]isoindole-1,3-dione (CID 75478267) is 2-[2-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)amino]ethyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)amino]ethyl]isoindole-1,3-dione?
The canonical SMILES for 2-[2-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)amino]ethyl]isoindole-1,3-dione is Cn1c(=O)oc2ccc(NCCN3C(=O)c4ccccc4C3=O)cc21.
What is the InChIKey of 2-[2-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)amino]ethyl]isoindole-1,3-dione?
The InChIKey is VVSYPLYBHGFRSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O4/c1-20-14-10-11(6-7-15(14)25-18(20)24)19-8-9-21-16(22)12-4-2-3-5-13(12)17(21)23/h2-7,10,19H,8-9H2,1H3.
What are the key properties of 2-[2-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)amino]ethyl]isoindole-1,3-dione?
2-[2-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)amino]ethyl]isoindole-1,3-dione has a molecular weight of 337.34 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)amino]ethyl]isoindole-1,3-dione is sourced from PubChem (CID 75478267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).