2-(2,5-difluorophenyl)-6-[2-(dimethylamino)ethylimino]-1,3-benzoxazole-4,7-dione

C17H15F2N3O3 — CID 91574308

IUPAC2-(2,5-difluorophenyl)-6-[2-(dimethylamino)ethylimino]-1,3-benzoxazole-4,7-dione
SMILESCN(C)CC/N=C1\CC(=O)c2nc(-c3cc(F)ccc3F)oc2C1=O
InChIInChI=1S/C17H15F2N3O3/c1-22(2)6-5-20-12-8-13(23)14-16(15(12)24)25-17(21-14)10-7-9(18)3-4-11(10)19/h3-4,7H,5-6,8H2,1-2H3/b20-12+
InChIKeyDSMJOGWDVVXKDH-UDWIEESQSA-N
MW347.32 g/mol
LogP2.39
Rot. Bonds4

About 2-(2,5-difluorophenyl)-6-[2-(dimethylamino)ethylimino]-1,3-benzoxazole-4,7-dione

2-(2,5-difluorophenyl)-6-[2-(dimethylamino)ethylimino]-1,3-benzoxazole-4,7-dione (PubChem CID 91574308) has the molecular formula C17H15F2N3O3 and a molecular weight of 347.32 g/mol. Its IUPAC name is 2-(2,5-difluorophenyl)-6-[2-(dimethylamino)ethylimino]-1,3-benzoxazole-4,7-dione.

Molecular Properties

Compound Name2-(2,5-difluorophenyl)-6-[2-(dimethylamino)ethylimino]-1,3-benzoxazole-4,7-dione
PubChem CID91574308
Molecular FormulaC17H15F2N3O3
Molecular Weight347.32 g/mol
Exact Mass347.11
IUPAC Name2-(2,5-difluorophenyl)-6-[2-(dimethylamino)ethylimino]-1,3-benzoxazole-4,7-dione
SMILESCN(C)CC/N=C1\CC(=O)c2nc(-c3cc(F)ccc3F)oc2C1=O
InChIInChI=1S/C17H15F2N3O3/c1-22(2)6-5-20-12-8-13(23)14-16(15(12)24)25-17(21-14)10-7-9(18)3-4-11(10)19/h3-4,7H,5-6,8H2,1-2H3/b20-12+
InChIKeyDSMJOGWDVVXKDH-UDWIEESQSA-N
XLogP2.39
TPSA75.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.32
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2-(2,5-difluorophenyl)-6-[2-(dimethylamino)ethylimino]-1,3-benzoxazole-4,7-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

6-[2-(dimethylamino)ethylimino]-2-(2,3,4,5-tetrafluorophenyl)-1,3-benzoxazole-4,7-dione
CID 91053759
5-[2-(dimethylamino)ethylimino]-2-(4-fluorophenyl)-1,3-benzoxazole-4,7-dione
CID 91116587
5-[2-(dimethylamino)ethylimino]-2-(2,3,4,5-tetrafluorophenyl)-1,3-benzoxazole-4,7-dione
CID 91570473
2-(4-fluorophenyl)-6-(2-pyrrolidin-1-ylethylimino)-1,3-benzoxazole-4,7-dione
CID 90830620
2-[4-(diethylamino)phenyl]-5-[2-(dimethylamino)ethylimino]-1,3-benzoxazole-4,7-dione
CID 91417969
2-ethyl-6-(4-fluorophenyl)imino-1,3-benzoxazole-4,7-dione
CID 91371698
2-(2,5-difluorophenyl)-5-methyl-1,3-oxazole
CID 172735636
2-(2,5-difluorophenyl)-4-ethyl-1,3-oxazole-5-carboxylic acid
CID 113459766
2-[2-(dimethylamino)ethoxy]-7-fluorofluoren-9-one
CID 82579503
6-[2-(dimethylamino)ethylamino]-2-(3-fluoro-4-methylphenyl)-1,3-benzoxazole-4,7-dione
CID 67211064
6-[2-(dimethylamino)ethylimino]-2-(pyrrolidine-1-carbonyl)-1,3-benzothiazole-4,7-dione
CID 91151640
2-(2,5-difluorophenyl)-4-(2-methylpropyl)-1,3-oxazole-5-carboxylic acid
CID 114374746

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-difluorophenyl)-6-[2-(dimethylamino)ethylimino]-1,3-benzoxazole-4,7-dione?
The IUPAC name of 2-(2,5-difluorophenyl)-6-[2-(dimethylamino)ethylimino]-1,3-benzoxazole-4,7-dione (CID 91574308) is 2-(2,5-difluorophenyl)-6-[2-(dimethylamino)ethylimino]-1,3-benzoxazole-4,7-dione.
What is the SMILES notation for 2-(2,5-difluorophenyl)-6-[2-(dimethylamino)ethylimino]-1,3-benzoxazole-4,7-dione?
The canonical SMILES for 2-(2,5-difluorophenyl)-6-[2-(dimethylamino)ethylimino]-1,3-benzoxazole-4,7-dione is CN(C)CC/N=C1\CC(=O)c2nc(-c3cc(F)ccc3F)oc2C1=O.
What is the InChIKey of 2-(2,5-difluorophenyl)-6-[2-(dimethylamino)ethylimino]-1,3-benzoxazole-4,7-dione?
The InChIKey is DSMJOGWDVVXKDH-UDWIEESQSA-N. The full InChI is InChI=1S/C17H15F2N3O3/c1-22(2)6-5-20-12-8-13(23)14-16(15(12)24)25-17(21-14)10-7-9(18)3-4-11(10)19/h3-4,7H,5-6,8H2,1-2H3/b20-12+.
What are the key properties of 2-(2,5-difluorophenyl)-6-[2-(dimethylamino)ethylimino]-1,3-benzoxazole-4,7-dione?
2-(2,5-difluorophenyl)-6-[2-(dimethylamino)ethylimino]-1,3-benzoxazole-4,7-dione has a molecular weight of 347.32 g/mol, XLogP of 2.39, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-difluorophenyl)-6-[2-(dimethylamino)ethylimino]-1,3-benzoxazole-4,7-dione is sourced from PubChem (CID 91574308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).