(2R,3R)-N-(4-methyl-3-oxo-1,4-benzoxazin-5-yl)-2-(trifluoromethyl)oxolane-3-carboxamide

C15H15F3N2O4 — CID 166259777

IUPAC(2R,3R)-N-(4-methyl-3-oxo-1,4-benzoxazin-5-yl)-2-(trifluoromethyl)oxolane-3-carboxamide
SMILESCN1C(=O)COc2cccc(NC(=O)[C@@H]3CCO[C@H]3C(F)(F)F)c21
InChIInChI=1S/C15H15F3N2O4/c1-20-11(21)7-24-10-4-2-3-9(12(10)20)19-14(22)8-5-6-23-13(8)15(16,17)18/h2-4,8,13H,5-7H2,1H3,(H,19,22)/t8-,13-/m1/s1
InChIKeyKCJCSSMQQXPMNN-AMIZOPFISA-N
MW344.29 g/mol
LogP1.95
Rot. Bonds2

About (2R,3R)-N-(4-methyl-3-oxo-1,4-benzoxazin-5-yl)-2-(trifluoromethyl)oxolane-3-carboxamide

(2R,3R)-N-(4-methyl-3-oxo-1,4-benzoxazin-5-yl)-2-(trifluoromethyl)oxolane-3-carboxamide (PubChem CID 166259777) has the molecular formula C15H15F3N2O4 and a molecular weight of 344.29 g/mol. Its IUPAC name is (2R,3R)-N-(4-methyl-3-oxo-1,4-benzoxazin-5-yl)-2-(trifluoromethyl)oxolane-3-carboxamide.

Molecular Properties

Compound Name(2R,3R)-N-(4-methyl-3-oxo-1,4-benzoxazin-5-yl)-2-(trifluoromethyl)oxolane-3-carboxamide
PubChem CID166259777
Molecular FormulaC15H15F3N2O4
Molecular Weight344.29 g/mol
Exact Mass344.10
IUPAC Name(2R,3R)-N-(4-methyl-3-oxo-1,4-benzoxazin-5-yl)-2-(trifluoromethyl)oxolane-3-carboxamide
SMILESCN1C(=O)COc2cccc(NC(=O)[C@@H]3CCO[C@H]3C(F)(F)F)c21
InChIInChI=1S/C15H15F3N2O4/c1-20-11(21)7-24-10-4-2-3-9(12(10)20)19-14(22)8-5-6-23-13(8)15(16,17)18/h2-4,8,13H,5-7H2,1H3,(H,19,22)/t8-,13-/m1/s1
InChIKeyKCJCSSMQQXPMNN-AMIZOPFISA-N
XLogP1.95
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.29
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-N-(4-methyl-3-oxo-1,4-benzoxazin-5-yl)-2-(trifluoromethyl)oxolane-3-carboxamide?
The IUPAC name of (2R,3R)-N-(4-methyl-3-oxo-1,4-benzoxazin-5-yl)-2-(trifluoromethyl)oxolane-3-carboxamide (CID 166259777) is (2R,3R)-N-(4-methyl-3-oxo-1,4-benzoxazin-5-yl)-2-(trifluoromethyl)oxolane-3-carboxamide.
What is the SMILES notation for (2R,3R)-N-(4-methyl-3-oxo-1,4-benzoxazin-5-yl)-2-(trifluoromethyl)oxolane-3-carboxamide?
The canonical SMILES for (2R,3R)-N-(4-methyl-3-oxo-1,4-benzoxazin-5-yl)-2-(trifluoromethyl)oxolane-3-carboxamide is CN1C(=O)COc2cccc(NC(=O)[C@@H]3CCO[C@H]3C(F)(F)F)c21.
What is the InChIKey of (2R,3R)-N-(4-methyl-3-oxo-1,4-benzoxazin-5-yl)-2-(trifluoromethyl)oxolane-3-carboxamide?
The InChIKey is KCJCSSMQQXPMNN-AMIZOPFISA-N. The full InChI is InChI=1S/C15H15F3N2O4/c1-20-11(21)7-24-10-4-2-3-9(12(10)20)19-14(22)8-5-6-23-13(8)15(16,17)18/h2-4,8,13H,5-7H2,1H3,(H,19,22)/t8-,13-/m1/s1.
What are the key properties of (2R,3R)-N-(4-methyl-3-oxo-1,4-benzoxazin-5-yl)-2-(trifluoromethyl)oxolane-3-carboxamide?
(2R,3R)-N-(4-methyl-3-oxo-1,4-benzoxazin-5-yl)-2-(trifluoromethyl)oxolane-3-carboxamide has a molecular weight of 344.29 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-N-(4-methyl-3-oxo-1,4-benzoxazin-5-yl)-2-(trifluoromethyl)oxolane-3-carboxamide is sourced from PubChem (CID 166259777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).