4-fluoro-3-[(3R,6S)-5-methoxy-3-methyl-6-phenyl-2,6-dihydro-1,4-oxazin-3-yl]benzamide

C19H19FN2O3 — CID 70307164

IUPAC4-fluoro-3-[(3R,6S)-5-methoxy-3-methyl-6-phenyl-2,6-dihydro-1,4-oxazin-3-yl]benzamide
SMILESCOC1=N[C@](C)(c2cc(C(N)=O)ccc2F)CO[C@H]1c1ccccc1
InChIInChI=1S/C19H19FN2O3/c1-19(14-10-13(17(21)23)8-9-15(14)20)11-25-16(18(22-19)24-2)12-6-4-3-5-7-12/h3-10,16H,11H2,1-2H3,(H2,21,23)/t16-,19-/m0/s1
InChIKeyMQXQAAGXAULROP-LPHOPBHVSA-N
MW342.37 g/mol
LogP2.96
Rot. Bonds3

About 4-fluoro-3-[(3R,6S)-5-methoxy-3-methyl-6-phenyl-2,6-dihydro-1,4-oxazin-3-yl]benzamide

4-fluoro-3-[(3R,6S)-5-methoxy-3-methyl-6-phenyl-2,6-dihydro-1,4-oxazin-3-yl]benzamide (PubChem CID 70307164) has the molecular formula C19H19FN2O3 and a molecular weight of 342.37 g/mol. Its IUPAC name is 4-fluoro-3-[(3R,6S)-5-methoxy-3-methyl-6-phenyl-2,6-dihydro-1,4-oxazin-3-yl]benzamide.

Molecular Properties

Compound Name4-fluoro-3-[(3R,6S)-5-methoxy-3-methyl-6-phenyl-2,6-dihydro-1,4-oxazin-3-yl]benzamide
PubChem CID70307164
Molecular FormulaC19H19FN2O3
Molecular Weight342.37 g/mol
Exact Mass342.14
IUPAC Name4-fluoro-3-[(3R,6S)-5-methoxy-3-methyl-6-phenyl-2,6-dihydro-1,4-oxazin-3-yl]benzamide
SMILESCOC1=N[C@](C)(c2cc(C(N)=O)ccc2F)CO[C@H]1c1ccccc1
InChIInChI=1S/C19H19FN2O3/c1-19(14-10-13(17(21)23)8-9-15(14)20)11-25-16(18(22-19)24-2)12-6-4-3-5-7-12/h3-10,16H,11H2,1-2H3,(H2,21,23)/t16-,19-/m0/s1
InChIKeyMQXQAAGXAULROP-LPHOPBHVSA-N
XLogP2.96
TPSA73.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-[(3R,6S)-5-methoxy-3-methyl-6-phenyl-2,6-dihydro-1,4-oxazin-3-yl]benzamide?
The IUPAC name of 4-fluoro-3-[(3R,6S)-5-methoxy-3-methyl-6-phenyl-2,6-dihydro-1,4-oxazin-3-yl]benzamide (CID 70307164) is 4-fluoro-3-[(3R,6S)-5-methoxy-3-methyl-6-phenyl-2,6-dihydro-1,4-oxazin-3-yl]benzamide.
What is the SMILES notation for 4-fluoro-3-[(3R,6S)-5-methoxy-3-methyl-6-phenyl-2,6-dihydro-1,4-oxazin-3-yl]benzamide?
The canonical SMILES for 4-fluoro-3-[(3R,6S)-5-methoxy-3-methyl-6-phenyl-2,6-dihydro-1,4-oxazin-3-yl]benzamide is COC1=N[C@](C)(c2cc(C(N)=O)ccc2F)CO[C@H]1c1ccccc1.
What is the InChIKey of 4-fluoro-3-[(3R,6S)-5-methoxy-3-methyl-6-phenyl-2,6-dihydro-1,4-oxazin-3-yl]benzamide?
The InChIKey is MQXQAAGXAULROP-LPHOPBHVSA-N. The full InChI is InChI=1S/C19H19FN2O3/c1-19(14-10-13(17(21)23)8-9-15(14)20)11-25-16(18(22-19)24-2)12-6-4-3-5-7-12/h3-10,16H,11H2,1-2H3,(H2,21,23)/t16-,19-/m0/s1.
What are the key properties of 4-fluoro-3-[(3R,6S)-5-methoxy-3-methyl-6-phenyl-2,6-dihydro-1,4-oxazin-3-yl]benzamide?
4-fluoro-3-[(3R,6S)-5-methoxy-3-methyl-6-phenyl-2,6-dihydro-1,4-oxazin-3-yl]benzamide has a molecular weight of 342.37 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-[(3R,6S)-5-methoxy-3-methyl-6-phenyl-2,6-dihydro-1,4-oxazin-3-yl]benzamide is sourced from PubChem (CID 70307164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).