2-(2,4-difluorophenyl)-6-methoxy-2,3-dihydro-1,3-benzoxazole-4,7-dione

C14H9F2NO4 — CID 68658236

IUPAC2-(2,4-difluorophenyl)-6-methoxy-2,3-dihydro-1,3-benzoxazole-4,7-dione
SMILESCOC1=CC(=O)C2=C(OC(c3ccc(F)cc3F)N2)C1=O
InChIInChI=1S/C14H9F2NO4/c1-20-10-5-9(18)11-13(12(10)19)21-14(17-11)7-3-2-6(15)4-8(7)16/h2-5,14,17H,1H3
InChIKeyGGBLMFFWRKMAJQ-UHFFFAOYSA-N
MW293.23 g/mol
LogP1.48
Rot. Bonds2

About 2-(2,4-difluorophenyl)-6-methoxy-2,3-dihydro-1,3-benzoxazole-4,7-dione

2-(2,4-difluorophenyl)-6-methoxy-2,3-dihydro-1,3-benzoxazole-4,7-dione (PubChem CID 68658236) has the molecular formula C14H9F2NO4 and a molecular weight of 293.23 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-6-methoxy-2,3-dihydro-1,3-benzoxazole-4,7-dione.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-6-methoxy-2,3-dihydro-1,3-benzoxazole-4,7-dione
PubChem CID68658236
Molecular FormulaC14H9F2NO4
Molecular Weight293.23 g/mol
Exact Mass293.05
IUPAC Name2-(2,4-difluorophenyl)-6-methoxy-2,3-dihydro-1,3-benzoxazole-4,7-dione
SMILESCOC1=CC(=O)C2=C(OC(c3ccc(F)cc3F)N2)C1=O
InChIInChI=1S/C14H9F2NO4/c1-20-10-5-9(18)11-13(12(10)19)21-14(17-11)7-3-2-6(15)4-8(7)16/h2-5,14,17H,1H3
InChIKeyGGBLMFFWRKMAJQ-UHFFFAOYSA-N
XLogP1.48
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.23
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'chinone_1', 'substructure': 'N/A'}

Analyze 2-(2,4-difluorophenyl)-6-methoxy-2,3-dihydro-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

Ethyl 2-phenyl-5-(trifluoromethyl)-2,3-dihydro-1,3-oxazole-4-carboxylate
CID 134859164
3-(2-pyrrolidin-1-ylethylamino)-2-(3,4,5-trifluorophenyl)-2H-1,3-benzoxazole-4,7-dione
CID 69360954

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-6-methoxy-2,3-dihydro-1,3-benzoxazole-4,7-dione?
The IUPAC name of 2-(2,4-difluorophenyl)-6-methoxy-2,3-dihydro-1,3-benzoxazole-4,7-dione (CID 68658236) is 2-(2,4-difluorophenyl)-6-methoxy-2,3-dihydro-1,3-benzoxazole-4,7-dione.
What is the SMILES notation for 2-(2,4-difluorophenyl)-6-methoxy-2,3-dihydro-1,3-benzoxazole-4,7-dione?
The canonical SMILES for 2-(2,4-difluorophenyl)-6-methoxy-2,3-dihydro-1,3-benzoxazole-4,7-dione is COC1=CC(=O)C2=C(OC(c3ccc(F)cc3F)N2)C1=O.
What is the InChIKey of 2-(2,4-difluorophenyl)-6-methoxy-2,3-dihydro-1,3-benzoxazole-4,7-dione?
The InChIKey is GGBLMFFWRKMAJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F2NO4/c1-20-10-5-9(18)11-13(12(10)19)21-14(17-11)7-3-2-6(15)4-8(7)16/h2-5,14,17H,1H3.
What are the key properties of 2-(2,4-difluorophenyl)-6-methoxy-2,3-dihydro-1,3-benzoxazole-4,7-dione?
2-(2,4-difluorophenyl)-6-methoxy-2,3-dihydro-1,3-benzoxazole-4,7-dione has a molecular weight of 293.23 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-6-methoxy-2,3-dihydro-1,3-benzoxazole-4,7-dione is sourced from PubChem (CID 68658236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).