2-(2-oxo-1,3-oxazinan-3-yl)-N-[(2S)-1-[4-(trifluoromethyl)phenyl]propan-2-yl]acetamide

C16H19F3N2O3 — CID 97087768

IUPAC2-(2-oxo-1,3-oxazinan-3-yl)-N-[(2S)-1-[4-(trifluoromethyl)phenyl]propan-2-yl]acetamide
SMILESC[C@@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)CN1CCCOC1=O
InChIInChI=1S/C16H19F3N2O3/c1-11(9-12-3-5-13(6-4-12)16(17,18)19)20-14(22)10-21-7-2-8-24-15(21)23/h3-6,11H,2,7-10H2,1H3,(H,20,22)/t11-/m0/s1
InChIKeyXASDHYGDJGFHPS-NSHDSACASA-N
MW344.33 g/mol
LogP2.59
Rot. Bonds5

About 2-(2-oxo-1,3-oxazinan-3-yl)-N-[(2S)-1-[4-(trifluoromethyl)phenyl]propan-2-yl]acetamide

2-(2-oxo-1,3-oxazinan-3-yl)-N-[(2S)-1-[4-(trifluoromethyl)phenyl]propan-2-yl]acetamide (PubChem CID 97087768) has the molecular formula C16H19F3N2O3 and a molecular weight of 344.33 g/mol. Its IUPAC name is 2-(2-oxo-1,3-oxazinan-3-yl)-N-[(2S)-1-[4-(trifluoromethyl)phenyl]propan-2-yl]acetamide.

Molecular Properties

Compound Name2-(2-oxo-1,3-oxazinan-3-yl)-N-[(2S)-1-[4-(trifluoromethyl)phenyl]propan-2-yl]acetamide
PubChem CID97087768
Molecular FormulaC16H19F3N2O3
Molecular Weight344.33 g/mol
Exact Mass344.13
IUPAC Name2-(2-oxo-1,3-oxazinan-3-yl)-N-[(2S)-1-[4-(trifluoromethyl)phenyl]propan-2-yl]acetamide
SMILESC[C@@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)CN1CCCOC1=O
InChIInChI=1S/C16H19F3N2O3/c1-11(9-12-3-5-13(6-4-12)16(17,18)19)20-14(22)10-21-7-2-8-24-15(21)23/h3-6,11H,2,7-10H2,1H3,(H,20,22)/t11-/m0/s1
InChIKeyXASDHYGDJGFHPS-NSHDSACASA-N
XLogP2.59
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.33
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-1,3-oxazinan-3-yl)-N-[(2S)-1-[4-(trifluoromethyl)phenyl]propan-2-yl]acetamide?
The IUPAC name of 2-(2-oxo-1,3-oxazinan-3-yl)-N-[(2S)-1-[4-(trifluoromethyl)phenyl]propan-2-yl]acetamide (CID 97087768) is 2-(2-oxo-1,3-oxazinan-3-yl)-N-[(2S)-1-[4-(trifluoromethyl)phenyl]propan-2-yl]acetamide.
What is the SMILES notation for 2-(2-oxo-1,3-oxazinan-3-yl)-N-[(2S)-1-[4-(trifluoromethyl)phenyl]propan-2-yl]acetamide?
The canonical SMILES for 2-(2-oxo-1,3-oxazinan-3-yl)-N-[(2S)-1-[4-(trifluoromethyl)phenyl]propan-2-yl]acetamide is C[C@@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)CN1CCCOC1=O.
What is the InChIKey of 2-(2-oxo-1,3-oxazinan-3-yl)-N-[(2S)-1-[4-(trifluoromethyl)phenyl]propan-2-yl]acetamide?
The InChIKey is XASDHYGDJGFHPS-NSHDSACASA-N. The full InChI is InChI=1S/C16H19F3N2O3/c1-11(9-12-3-5-13(6-4-12)16(17,18)19)20-14(22)10-21-7-2-8-24-15(21)23/h3-6,11H,2,7-10H2,1H3,(H,20,22)/t11-/m0/s1.
What are the key properties of 2-(2-oxo-1,3-oxazinan-3-yl)-N-[(2S)-1-[4-(trifluoromethyl)phenyl]propan-2-yl]acetamide?
2-(2-oxo-1,3-oxazinan-3-yl)-N-[(2S)-1-[4-(trifluoromethyl)phenyl]propan-2-yl]acetamide has a molecular weight of 344.33 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-1,3-oxazinan-3-yl)-N-[(2S)-1-[4-(trifluoromethyl)phenyl]propan-2-yl]acetamide is sourced from PubChem (CID 97087768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).