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

C13H13F3N2O3 — CID 110860875

IUPAC2-(2-oxo-1,3-oxazinan-3-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CN1CCCOC1=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H13F3N2O3/c14-13(15,16)9-3-1-4-10(7-9)17-11(19)8-18-5-2-6-21-12(18)20/h1,3-4,7H,2,5-6,8H2,(H,17,19)
InChIKeyXWANPPXGVDPGGU-UHFFFAOYSA-N
MW302.25 g/mol
LogP2.49
Rot. Bonds3

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

2-(2-oxo-1,3-oxazinan-3-yl)-N-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 110860875) has the molecular formula C13H13F3N2O3 and a molecular weight of 302.25 g/mol. Its IUPAC name is 2-(2-oxo-1,3-oxazinan-3-yl)-N-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2-oxo-1,3-oxazinan-3-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID110860875
Molecular FormulaC13H13F3N2O3
Molecular Weight302.25 g/mol
Exact Mass302.09
IUPAC Name2-(2-oxo-1,3-oxazinan-3-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CN1CCCOC1=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H13F3N2O3/c14-13(15,16)9-3-1-4-10(7-9)17-11(19)8-18-5-2-6-21-12(18)20/h1,3-4,7H,2,5-6,8H2,(H,17,19)
InChIKeyXWANPPXGVDPGGU-UHFFFAOYSA-N
XLogP2.49
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.25
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[(4-fluorophenyl)methyl]-2,3-dioxopiperazin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 53063668
N-(3-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 9067963
2-(2-oxo-1,3-oxazinan-3-yl)-N-[(2S)-1-[4-(trifluoromethyl)phenyl]propan-2-yl]acetamide
CID 97087768
2-(4-hydroxypiperidin-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 31480654
N-(3-hydroxyphenyl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 28789155
2-[4-[(3-methylphenyl)methyl]-2,3-dioxopiperazin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 53063920
2-(4-cyclopentylpiperazin-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 34421603
2-[4-(hydroxymethyl)piperidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 60500965
2-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 112779001
2-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]pyrazole-3-carboxylic acid
CID 19482774
2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 2701790
2-[(3S)-4-ethyl-2-oxomorpholin-3-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 41009155

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-1,3-oxazinan-3-yl)-N-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(2-oxo-1,3-oxazinan-3-yl)-N-[3-(trifluoromethyl)phenyl]acetamide (CID 110860875) is 2-(2-oxo-1,3-oxazinan-3-yl)-N-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(2-oxo-1,3-oxazinan-3-yl)-N-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(2-oxo-1,3-oxazinan-3-yl)-N-[3-(trifluoromethyl)phenyl]acetamide is O=C(CN1CCCOC1=O)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-(2-oxo-1,3-oxazinan-3-yl)-N-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is XWANPPXGVDPGGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2O3/c14-13(15,16)9-3-1-4-10(7-9)17-11(19)8-18-5-2-6-21-12(18)20/h1,3-4,7H,2,5-6,8H2,(H,17,19).
What are the key properties of 2-(2-oxo-1,3-oxazinan-3-yl)-N-[3-(trifluoromethyl)phenyl]acetamide?
2-(2-oxo-1,3-oxazinan-3-yl)-N-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 302.25 g/mol, XLogP of 2.49, 3 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-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 110860875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).