6-(5-tert-butyl-2-oxo-1,3-oxazol-3-yl)-7-fluoro-4-(methoxymethyl)-1,4-benzoxazin-3-one

C17H19FN2O5 — CID 67838025

IUPAC6-(5-tert-butyl-2-oxo-1,3-oxazol-3-yl)-7-fluoro-4-(methoxymethyl)-1,4-benzoxazin-3-one
SMILESCOCN1C(=O)COc2cc(F)c(-n3cc(C(C)(C)C)oc3=O)cc21
InChIInChI=1S/C17H19FN2O5/c1-17(2,3)14-7-19(16(22)25-14)11-6-12-13(5-10(11)18)24-8-15(21)20(12)9-23-4/h5-7H,8-9H2,1-4H3
InChIKeyJCXOPQQBUFBBTK-UHFFFAOYSA-N
MW350.35 g/mol
LogP2.20
Rot. Bonds3

About 6-(5-tert-butyl-2-oxo-1,3-oxazol-3-yl)-7-fluoro-4-(methoxymethyl)-1,4-benzoxazin-3-one

6-(5-tert-butyl-2-oxo-1,3-oxazol-3-yl)-7-fluoro-4-(methoxymethyl)-1,4-benzoxazin-3-one (PubChem CID 67838025) has the molecular formula C17H19FN2O5 and a molecular weight of 350.35 g/mol. Its IUPAC name is 6-(5-tert-butyl-2-oxo-1,3-oxazol-3-yl)-7-fluoro-4-(methoxymethyl)-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name6-(5-tert-butyl-2-oxo-1,3-oxazol-3-yl)-7-fluoro-4-(methoxymethyl)-1,4-benzoxazin-3-one
PubChem CID67838025
Molecular FormulaC17H19FN2O5
Molecular Weight350.35 g/mol
Exact Mass350.13
IUPAC Name6-(5-tert-butyl-2-oxo-1,3-oxazol-3-yl)-7-fluoro-4-(methoxymethyl)-1,4-benzoxazin-3-one
SMILESCOCN1C(=O)COc2cc(F)c(-n3cc(C(C)(C)C)oc3=O)cc21
InChIInChI=1S/C17H19FN2O5/c1-17(2,3)14-7-19(16(22)25-14)11-6-12-13(5-10(11)18)24-8-15(21)20(12)9-23-4/h5-7H,8-9H2,1-4H3
InChIKeyJCXOPQQBUFBBTK-UHFFFAOYSA-N
XLogP2.20
TPSA73.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.35
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-(5-tert-butyl-2-oxo-1,3-oxazol-3-yl)-7-fluoro-4-(methoxymethyl)-1,4-benzoxazin-3-one 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 6-(5-tert-butyl-2-oxo-1,3-oxazol-3-yl)-7-fluoro-4-(methoxymethyl)-1,4-benzoxazin-3-one?
The IUPAC name of 6-(5-tert-butyl-2-oxo-1,3-oxazol-3-yl)-7-fluoro-4-(methoxymethyl)-1,4-benzoxazin-3-one (CID 67838025) is 6-(5-tert-butyl-2-oxo-1,3-oxazol-3-yl)-7-fluoro-4-(methoxymethyl)-1,4-benzoxazin-3-one.
What is the SMILES notation for 6-(5-tert-butyl-2-oxo-1,3-oxazol-3-yl)-7-fluoro-4-(methoxymethyl)-1,4-benzoxazin-3-one?
The canonical SMILES for 6-(5-tert-butyl-2-oxo-1,3-oxazol-3-yl)-7-fluoro-4-(methoxymethyl)-1,4-benzoxazin-3-one is COCN1C(=O)COc2cc(F)c(-n3cc(C(C)(C)C)oc3=O)cc21.
What is the InChIKey of 6-(5-tert-butyl-2-oxo-1,3-oxazol-3-yl)-7-fluoro-4-(methoxymethyl)-1,4-benzoxazin-3-one?
The InChIKey is JCXOPQQBUFBBTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O5/c1-17(2,3)14-7-19(16(22)25-14)11-6-12-13(5-10(11)18)24-8-15(21)20(12)9-23-4/h5-7H,8-9H2,1-4H3.
What are the key properties of 6-(5-tert-butyl-2-oxo-1,3-oxazol-3-yl)-7-fluoro-4-(methoxymethyl)-1,4-benzoxazin-3-one?
6-(5-tert-butyl-2-oxo-1,3-oxazol-3-yl)-7-fluoro-4-(methoxymethyl)-1,4-benzoxazin-3-one has a molecular weight of 350.35 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-tert-butyl-2-oxo-1,3-oxazol-3-yl)-7-fluoro-4-(methoxymethyl)-1,4-benzoxazin-3-one is sourced from PubChem (CID 67838025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).