2-(4-chloro-2-fluoro-5-methoxyphenyl)-6,8-dimethyl-5,6,8,8a-tetrahydroimidazo[5,1-c][1,4]oxazine-1,3-dione

C15H16ClFN2O4 — CID 14255156

IUPAC2-(4-chloro-2-fluoro-5-methoxyphenyl)-6,8-dimethyl-5,6,8,8a-tetrahydroimidazo[5,1-c][1,4]oxazine-1,3-dione
SMILESCOc1cc(N2C(=O)C3C(C)OC(C)CN3C2=O)c(F)cc1Cl
InChIInChI=1S/C15H16ClFN2O4/c1-7-6-18-13(8(2)23-7)14(20)19(15(18)21)11-5-12(22-3)9(16)4-10(11)17/h4-5,7-8,13H,6H2,1-3H3
InChIKeyWLIOHYZNQKTUTK-UHFFFAOYSA-N
MW342.75 g/mol
LogP2.43
Rot. Bonds2

About 2-(4-chloro-2-fluoro-5-methoxyphenyl)-6,8-dimethyl-5,6,8,8a-tetrahydroimidazo[5,1-c][1,4]oxazine-1,3-dione

2-(4-chloro-2-fluoro-5-methoxyphenyl)-6,8-dimethyl-5,6,8,8a-tetrahydroimidazo[5,1-c][1,4]oxazine-1,3-dione (PubChem CID 14255156) has the molecular formula C15H16ClFN2O4 and a molecular weight of 342.75 g/mol. Its IUPAC name is 2-(4-chloro-2-fluoro-5-methoxyphenyl)-6,8-dimethyl-5,6,8,8a-tetrahydroimidazo[5,1-c][1,4]oxazine-1,3-dione.

Molecular Properties

Compound Name2-(4-chloro-2-fluoro-5-methoxyphenyl)-6,8-dimethyl-5,6,8,8a-tetrahydroimidazo[5,1-c][1,4]oxazine-1,3-dione
PubChem CID14255156
Molecular FormulaC15H16ClFN2O4
Molecular Weight342.75 g/mol
Exact Mass342.08
IUPAC Name2-(4-chloro-2-fluoro-5-methoxyphenyl)-6,8-dimethyl-5,6,8,8a-tetrahydroimidazo[5,1-c][1,4]oxazine-1,3-dione
SMILESCOc1cc(N2C(=O)C3C(C)OC(C)CN3C2=O)c(F)cc1Cl
InChIInChI=1S/C15H16ClFN2O4/c1-7-6-18-13(8(2)23-7)14(20)19(15(18)21)11-5-12(22-3)9(16)4-10(11)17/h4-5,7-8,13H,6H2,1-3H3
InChIKeyWLIOHYZNQKTUTK-UHFFFAOYSA-N
XLogP2.43
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.75
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

Analyze 2-(4-chloro-2-fluoro-5-methoxyphenyl)-6,8-dimethyl-5,6,8,8a-tetrahydroimidazo[5,1-c][1,4]oxazine-1,3-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-(4-chloro-2-fluoro-5-methoxyphenyl)-6,8-dimethyl-5,6,8,8a-tetrahydroimidazo[5,1-c][1,4]oxazine-1,3-dione?
The IUPAC name of 2-(4-chloro-2-fluoro-5-methoxyphenyl)-6,8-dimethyl-5,6,8,8a-tetrahydroimidazo[5,1-c][1,4]oxazine-1,3-dione (CID 14255156) is 2-(4-chloro-2-fluoro-5-methoxyphenyl)-6,8-dimethyl-5,6,8,8a-tetrahydroimidazo[5,1-c][1,4]oxazine-1,3-dione.
What is the SMILES notation for 2-(4-chloro-2-fluoro-5-methoxyphenyl)-6,8-dimethyl-5,6,8,8a-tetrahydroimidazo[5,1-c][1,4]oxazine-1,3-dione?
The canonical SMILES for 2-(4-chloro-2-fluoro-5-methoxyphenyl)-6,8-dimethyl-5,6,8,8a-tetrahydroimidazo[5,1-c][1,4]oxazine-1,3-dione is COc1cc(N2C(=O)C3C(C)OC(C)CN3C2=O)c(F)cc1Cl.
What is the InChIKey of 2-(4-chloro-2-fluoro-5-methoxyphenyl)-6,8-dimethyl-5,6,8,8a-tetrahydroimidazo[5,1-c][1,4]oxazine-1,3-dione?
The InChIKey is WLIOHYZNQKTUTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClFN2O4/c1-7-6-18-13(8(2)23-7)14(20)19(15(18)21)11-5-12(22-3)9(16)4-10(11)17/h4-5,7-8,13H,6H2,1-3H3.
What are the key properties of 2-(4-chloro-2-fluoro-5-methoxyphenyl)-6,8-dimethyl-5,6,8,8a-tetrahydroimidazo[5,1-c][1,4]oxazine-1,3-dione?
2-(4-chloro-2-fluoro-5-methoxyphenyl)-6,8-dimethyl-5,6,8,8a-tetrahydroimidazo[5,1-c][1,4]oxazine-1,3-dione has a molecular weight of 342.75 g/mol, XLogP of 2.43, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-fluoro-5-methoxyphenyl)-6,8-dimethyl-5,6,8,8a-tetrahydroimidazo[5,1-c][1,4]oxazine-1,3-dione is sourced from PubChem (CID 14255156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).