5-[2-(4-fluoro-3-methylphenyl)acetyl]-N-[(2R)-1,1,1-trifluoropropan-2-yl]-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-3-carboxamide

C19H19F4N3O3 — CID 165097730

IUPAC5-[2-(4-fluoro-3-methylphenyl)acetyl]-N-[(2R)-1,1,1-trifluoropropan-2-yl]-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-3-carboxamide
SMILESCc1cc(CC(=O)N2CCc3noc(C(=O)N[C@H](C)C(F)(F)F)c3C2)ccc1F
InChIInChI=1S/C19H19F4N3O3/c1-10-7-12(3-4-14(10)20)8-16(27)26-6-5-15-13(9-26)17(29-25-15)18(28)24-11(2)19(21,22)23/h3-4,7,11H,5-6,8-9H2,1-2H3,(H,24,28)/t11-/m1/s1
InChIKeyXUGOCUFETLFCMP-LLVKDONJSA-N
MW413.37 g/mol
LogP2.93
Rot. Bonds4

About 5-[2-(4-fluoro-3-methylphenyl)acetyl]-N-[(2R)-1,1,1-trifluoropropan-2-yl]-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-3-carboxamide

5-[2-(4-fluoro-3-methylphenyl)acetyl]-N-[(2R)-1,1,1-trifluoropropan-2-yl]-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 165097730) has the molecular formula C19H19F4N3O3 and a molecular weight of 413.37 g/mol. Its IUPAC name is 5-[2-(4-fluoro-3-methylphenyl)acetyl]-N-[(2R)-1,1,1-trifluoropropan-2-yl]-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[2-(4-fluoro-3-methylphenyl)acetyl]-N-[(2R)-1,1,1-trifluoropropan-2-yl]-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-3-carboxamide
PubChem CID165097730
Molecular FormulaC19H19F4N3O3
Molecular Weight413.37 g/mol
Exact Mass413.14
IUPAC Name5-[2-(4-fluoro-3-methylphenyl)acetyl]-N-[(2R)-1,1,1-trifluoropropan-2-yl]-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-3-carboxamide
SMILESCc1cc(CC(=O)N2CCc3noc(C(=O)N[C@H](C)C(F)(F)F)c3C2)ccc1F
InChIInChI=1S/C19H19F4N3O3/c1-10-7-12(3-4-14(10)20)8-16(27)26-6-5-15-13(9-26)17(29-25-15)18(28)24-11(2)19(21,22)23/h3-4,7,11H,5-6,8-9H2,1-2H3,(H,24,28)/t11-/m1/s1
InChIKeyXUGOCUFETLFCMP-LLVKDONJSA-N
XLogP2.93
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.37
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[2-(4-fluoro-3-methylphenyl)acetyl]-N-[(2R)-1,1,1-trifluoropropan-2-yl]-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-fluoro-3-methylphenyl)acetyl]-N-[(2R)-1,1,1-trifluoropropan-2-yl]-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-3-carboxamide?
The IUPAC name of 5-[2-(4-fluoro-3-methylphenyl)acetyl]-N-[(2R)-1,1,1-trifluoropropan-2-yl]-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-3-carboxamide (CID 165097730) is 5-[2-(4-fluoro-3-methylphenyl)acetyl]-N-[(2R)-1,1,1-trifluoropropan-2-yl]-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-3-carboxamide.
What is the SMILES notation for 5-[2-(4-fluoro-3-methylphenyl)acetyl]-N-[(2R)-1,1,1-trifluoropropan-2-yl]-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-3-carboxamide?
The canonical SMILES for 5-[2-(4-fluoro-3-methylphenyl)acetyl]-N-[(2R)-1,1,1-trifluoropropan-2-yl]-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-3-carboxamide is Cc1cc(CC(=O)N2CCc3noc(C(=O)N[C@H](C)C(F)(F)F)c3C2)ccc1F.
What is the InChIKey of 5-[2-(4-fluoro-3-methylphenyl)acetyl]-N-[(2R)-1,1,1-trifluoropropan-2-yl]-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-3-carboxamide?
The InChIKey is XUGOCUFETLFCMP-LLVKDONJSA-N. The full InChI is InChI=1S/C19H19F4N3O3/c1-10-7-12(3-4-14(10)20)8-16(27)26-6-5-15-13(9-26)17(29-25-15)18(28)24-11(2)19(21,22)23/h3-4,7,11H,5-6,8-9H2,1-2H3,(H,24,28)/t11-/m1/s1.
What are the key properties of 5-[2-(4-fluoro-3-methylphenyl)acetyl]-N-[(2R)-1,1,1-trifluoropropan-2-yl]-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-3-carboxamide?
5-[2-(4-fluoro-3-methylphenyl)acetyl]-N-[(2R)-1,1,1-trifluoropropan-2-yl]-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 413.37 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-fluoro-3-methylphenyl)acetyl]-N-[(2R)-1,1,1-trifluoropropan-2-yl]-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 165097730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).