methyl 2-(4,5-difluoro-2-oxo-1,3-benzoxazol-3-yl)acetate

C10H7F2NO4 — CID 134446922

IUPACmethyl 2-(4,5-difluoro-2-oxo-1,3-benzoxazol-3-yl)acetate
SMILESCOC(=O)Cn1c(=O)oc2ccc(F)c(F)c21
InChIInChI=1S/C10H7F2NO4/c1-16-7(14)4-13-9-6(17-10(13)15)3-2-5(11)8(9)12/h2-3H,4H2,1H3
InChIKeyMRGKOSIGRBSYPK-UHFFFAOYSA-N
MW243.16 g/mol
LogP1.05
Rot. Bonds2

About methyl 2-(4,5-difluoro-2-oxo-1,3-benzoxazol-3-yl)acetate

methyl 2-(4,5-difluoro-2-oxo-1,3-benzoxazol-3-yl)acetate (PubChem CID 134446922) has the molecular formula C10H7F2NO4 and a molecular weight of 243.16 g/mol. Its IUPAC name is methyl 2-(4,5-difluoro-2-oxo-1,3-benzoxazol-3-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(4,5-difluoro-2-oxo-1,3-benzoxazol-3-yl)acetate
PubChem CID134446922
Molecular FormulaC10H7F2NO4
Molecular Weight243.16 g/mol
Exact Mass243.03
IUPAC Namemethyl 2-(4,5-difluoro-2-oxo-1,3-benzoxazol-3-yl)acetate
SMILESCOC(=O)Cn1c(=O)oc2ccc(F)c(F)c21
InChIInChI=1S/C10H7F2NO4/c1-16-7(14)4-13-9-6(17-10(13)15)3-2-5(11)8(9)12/h2-3H,4H2,1H3
InChIKeyMRGKOSIGRBSYPK-UHFFFAOYSA-N
XLogP1.05
TPSA61.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.16
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 2-(4,5-difluoro-2-oxo-1,3-benzoxazol-3-yl)acetate 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 methyl 2-(4,5-difluoro-2-oxo-1,3-benzoxazol-3-yl)acetate?
The IUPAC name of methyl 2-(4,5-difluoro-2-oxo-1,3-benzoxazol-3-yl)acetate (CID 134446922) is methyl 2-(4,5-difluoro-2-oxo-1,3-benzoxazol-3-yl)acetate.
What is the SMILES notation for methyl 2-(4,5-difluoro-2-oxo-1,3-benzoxazol-3-yl)acetate?
The canonical SMILES for methyl 2-(4,5-difluoro-2-oxo-1,3-benzoxazol-3-yl)acetate is COC(=O)Cn1c(=O)oc2ccc(F)c(F)c21.
What is the InChIKey of methyl 2-(4,5-difluoro-2-oxo-1,3-benzoxazol-3-yl)acetate?
The InChIKey is MRGKOSIGRBSYPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F2NO4/c1-16-7(14)4-13-9-6(17-10(13)15)3-2-5(11)8(9)12/h2-3H,4H2,1H3.
What are the key properties of methyl 2-(4,5-difluoro-2-oxo-1,3-benzoxazol-3-yl)acetate?
methyl 2-(4,5-difluoro-2-oxo-1,3-benzoxazol-3-yl)acetate has a molecular weight of 243.16 g/mol, XLogP of 1.05, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4,5-difluoro-2-oxo-1,3-benzoxazol-3-yl)acetate is sourced from PubChem (CID 134446922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).