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

C14H9F2NO4 — CID 91612256

IUPAC2-(2,4-difluorophenyl)-6-methoxy-2,7a-dihydro-1,3-benzoxazole-4,7-dione
SMILESCOC1=CC(=O)C2=NC(c3ccc(F)cc3F)OC2C1=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/h2-5,13-14H,1H3
InChIKeySSNKFMMSKBLJBK-UHFFFAOYSA-N
MW293.23 g/mol
LogP1.49
Rot. Bonds2

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

2-(2,4-difluorophenyl)-6-methoxy-2,7a-dihydro-1,3-benzoxazole-4,7-dione (PubChem CID 91612256) has the molecular formula C14H9F2NO4 and a molecular weight of 293.23 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-6-methoxy-2,7a-dihydro-1,3-benzoxazole-4,7-dione.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-6-methoxy-2,7a-dihydro-1,3-benzoxazole-4,7-dione
PubChem CID91612256
Molecular FormulaC14H9F2NO4
Molecular Weight293.23 g/mol
Exact Mass293.05
IUPAC Name2-(2,4-difluorophenyl)-6-methoxy-2,7a-dihydro-1,3-benzoxazole-4,7-dione
SMILESCOC1=CC(=O)C2=NC(c3ccc(F)cc3F)OC2C1=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/h2-5,13-14H,1H3
InChIKeySSNKFMMSKBLJBK-UHFFFAOYSA-N
XLogP1.49
TPSA64.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.23
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(2,4-difluorophenyl)-6-methoxy-2,7a-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

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-6-methoxy-2,7a-dihydro-1,3-benzoxazole-4,7-dione?
The IUPAC name of 2-(2,4-difluorophenyl)-6-methoxy-2,7a-dihydro-1,3-benzoxazole-4,7-dione (CID 91612256) is 2-(2,4-difluorophenyl)-6-methoxy-2,7a-dihydro-1,3-benzoxazole-4,7-dione.
What is the SMILES notation for 2-(2,4-difluorophenyl)-6-methoxy-2,7a-dihydro-1,3-benzoxazole-4,7-dione?
The canonical SMILES for 2-(2,4-difluorophenyl)-6-methoxy-2,7a-dihydro-1,3-benzoxazole-4,7-dione is COC1=CC(=O)C2=NC(c3ccc(F)cc3F)OC2C1=O.
What is the InChIKey of 2-(2,4-difluorophenyl)-6-methoxy-2,7a-dihydro-1,3-benzoxazole-4,7-dione?
The InChIKey is SSNKFMMSKBLJBK-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/h2-5,13-14H,1H3.
What are the key properties of 2-(2,4-difluorophenyl)-6-methoxy-2,7a-dihydro-1,3-benzoxazole-4,7-dione?
2-(2,4-difluorophenyl)-6-methoxy-2,7a-dihydro-1,3-benzoxazole-4,7-dione has a molecular weight of 293.23 g/mol, XLogP of 1.49, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-6-methoxy-2,7a-dihydro-1,3-benzoxazole-4,7-dione is sourced from PubChem (CID 91612256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).