1-(8-deuterio-2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl)-2-[4-(trifluoromethyl)phenyl]ethanone

C16H13F3N2O2 — CID 175995822

IUPAC1-(8-deuterio-2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl)-2-[4-(trifluoromethyl)phenyl]ethanone
SMILES[2H]c1cncc2c1OCCN2C(=O)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H13F3N2O2/c17-16(18,19)12-3-1-11(2-4-12)9-15(22)21-7-8-23-14-5-6-20-10-13(14)21/h1-6,10H,7-9H2/i5D
InChIKeyIQSISBGPRHYONK-UICOGKGYSA-N
MW323.29 g/mol
LogP3.07
Rot. Bonds2

About 1-(8-deuterio-2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl)-2-[4-(trifluoromethyl)phenyl]ethanone

1-(8-deuterio-2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl)-2-[4-(trifluoromethyl)phenyl]ethanone (PubChem CID 175995822) has the molecular formula C16H13F3N2O2 and a molecular weight of 323.29 g/mol. Its IUPAC name is 1-(8-deuterio-2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl)-2-[4-(trifluoromethyl)phenyl]ethanone.

Molecular Properties

Compound Name1-(8-deuterio-2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl)-2-[4-(trifluoromethyl)phenyl]ethanone
PubChem CID175995822
Molecular FormulaC16H13F3N2O2
Molecular Weight323.29 g/mol
Exact Mass323.10
IUPAC Name1-(8-deuterio-2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl)-2-[4-(trifluoromethyl)phenyl]ethanone
SMILES[2H]c1cncc2c1OCCN2C(=O)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H13F3N2O2/c17-16(18,19)12-3-1-11(2-4-12)9-15(22)21-7-8-23-14-5-6-20-10-13(14)21/h1-6,10H,7-9H2/i5D
InChIKeyIQSISBGPRHYONK-UICOGKGYSA-N
XLogP3.07
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.29
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(7-pyridin-3-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2-[4-(trifluoromethyl)phenyl]ethanone
CID 172756929
2-(3-chlorophenyl)-1-(2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl)ethanone
CID 166227093
1-(2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl)-3-(2,2,3,3-tetrafluoropropoxy)propan-1-one
CID 91652693
N-(2-chloro-2,2-difluoroethyl)-N-methyl-2,3-dihydropyrido[4,3-b][1,4]oxazine-4-carboxamide
CID 166315197
4-[1-[2-[4-(trifluoromethyl)phenyl]acetyl]-2,3-dihydropyrrolo[2,3-c]pyridin-4-yl]benzonitrile
CID 175996069
1-(6-chloro-2,3-dihydro-1,4-benzoxazin-4-yl)-2-(4-fluorophenyl)ethanone
CID 110639441
2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl-[4-hydroxy-3-(trifluoromethyl)phenyl]methanone
CID 44610282
2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-1-(2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl)ethanone
CID 136512937
1-[6-(trifluoromethyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone
CID 97226753
2-adamantyl(2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl)methanone
CID 167926677
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(6-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)ethanone
CID 136520539
2-(1,3-benzodioxol-5-yl)-1-(2,3-dihydropyrido[4,3-b][1,4]thiazin-4-yl)ethanone
CID 122143975

Frequently Asked Questions

What is the IUPAC name of 1-(8-deuterio-2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl)-2-[4-(trifluoromethyl)phenyl]ethanone?
The IUPAC name of 1-(8-deuterio-2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl)-2-[4-(trifluoromethyl)phenyl]ethanone (CID 175995822) is 1-(8-deuterio-2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl)-2-[4-(trifluoromethyl)phenyl]ethanone.
What is the SMILES notation for 1-(8-deuterio-2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl)-2-[4-(trifluoromethyl)phenyl]ethanone?
The canonical SMILES for 1-(8-deuterio-2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl)-2-[4-(trifluoromethyl)phenyl]ethanone is [2H]c1cncc2c1OCCN2C(=O)Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-(8-deuterio-2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl)-2-[4-(trifluoromethyl)phenyl]ethanone?
The InChIKey is IQSISBGPRHYONK-UICOGKGYSA-N. The full InChI is InChI=1S/C16H13F3N2O2/c17-16(18,19)12-3-1-11(2-4-12)9-15(22)21-7-8-23-14-5-6-20-10-13(14)21/h1-6,10H,7-9H2/i5D.
What are the key properties of 1-(8-deuterio-2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl)-2-[4-(trifluoromethyl)phenyl]ethanone?
1-(8-deuterio-2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl)-2-[4-(trifluoromethyl)phenyl]ethanone has a molecular weight of 323.29 g/mol, XLogP of 3.07, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-deuterio-2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl)-2-[4-(trifluoromethyl)phenyl]ethanone is sourced from PubChem (CID 175995822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).