[(2S)-7-[(4-fluorophenyl)methyl]-2-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-6-yl]methanol

C16H17FN2O2 — CID 175915910

IUPAC[(2S)-7-[(4-fluorophenyl)methyl]-2-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-6-yl]methanol
SMILESC[C@H]1COc2nc(CO)c(Cc3ccc(F)cc3)cc2N1
InChIInChI=1S/C16H17FN2O2/c1-10-9-21-16-14(18-10)7-12(15(8-20)19-16)6-11-2-4-13(17)5-3-11/h2-5,7,10,18,20H,6,8-9H2,1H3/t10-/m0/s1
InChIKeyUIZZGXZDCJLVDF-JTQLQIEISA-N
MW288.32 g/mol
LogP2.50
Rot. Bonds3

About [(2S)-7-[(4-fluorophenyl)methyl]-2-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-6-yl]methanol

[(2S)-7-[(4-fluorophenyl)methyl]-2-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-6-yl]methanol (PubChem CID 175915910) has the molecular formula C16H17FN2O2 and a molecular weight of 288.32 g/mol. Its IUPAC name is [(2S)-7-[(4-fluorophenyl)methyl]-2-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-6-yl]methanol.

Molecular Properties

Compound Name[(2S)-7-[(4-fluorophenyl)methyl]-2-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-6-yl]methanol
PubChem CID175915910
Molecular FormulaC16H17FN2O2
Molecular Weight288.32 g/mol
Exact Mass288.13
IUPAC Name[(2S)-7-[(4-fluorophenyl)methyl]-2-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-6-yl]methanol
SMILESC[C@H]1COc2nc(CO)c(Cc3ccc(F)cc3)cc2N1
InChIInChI=1S/C16H17FN2O2/c1-10-9-21-16-14(18-10)7-12(15(8-20)19-16)6-11-2-4-13(17)5-3-11/h2-5,7,10,18,20H,6,8-9H2,1H3/t10-/m0/s1
InChIKeyUIZZGXZDCJLVDF-JTQLQIEISA-N
XLogP2.50
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-7-[(4-fluorophenyl)methyl]-N-(2-hydroxyethyl)-2-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine-6-carboxamide
CID 167526990
(2S)-N-ethyl-7-[(4-fluorophenyl)methyl]-2-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine-6-carboxamide
CID 167526455
[(2S)-7-[(4-fluorophenyl)methyl]-2-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-6-yl]-[(3S)-3-fluoropyrrolidin-1-yl]methanone
CID 167526882
[(2S)-7-[(4-fluorophenyl)methyl]-2-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-6-yl] N-tert-butylcarbamate
CID 175410882
[(2S)-7-[(2,4-difluorophenyl)methyl]-2-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-6-yl]methyl acetate
CID 167526641
tert-butyl-[2-[[7-[(4-fluorophenyl)methyl]-2-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-6-yl]oxy]ethoxy]-dimethylsilane
CID 174053139
[3-[tert-butyl(dimethyl)silyl]oxyazetidin-1-yl]-[7-[(4-fluorophenyl)methyl]-2-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-6-yl]methanone
CID 174053451
2-[(2R,5R)-2-[[(3S)-3-cyclopropylmorpholin-4-yl]methyl]-5-methylpiperazin-1-yl]-1-[(2S)-7-[(4-fluorophenyl)methyl]-6-(hydroxymethyl)-2-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl]ethanone
CID 167526973
2-[(2R,5R)-2-[[(3R,5R)-3,5-dimethylmorpholin-4-yl]methyl]-5-methylpiperazin-1-yl]-1-[6-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl]ethanone;dihydrochloride
CID 126506680
6-[(4-fluorophenyl)methyl]-1,3-benzodioxol-5-ol
CID 102584547
2-[4-[(4-fluorophenyl)methyl]-1-methylpyrrolo[2,3-b]pyridin-6-yl]-N-[(3S,4S)-4-hydroxyoxan-3-yl]acetamide
CID 153324629
1-[6-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl]-2-[(2R,5R)-5-methyl-2-[[(3R)-3-methylmorpholin-4-yl]methyl]piperidin-1-yl]ethanone
CID 155657936

Frequently Asked Questions

What is the IUPAC name of [(2S)-7-[(4-fluorophenyl)methyl]-2-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-6-yl]methanol?
The IUPAC name of [(2S)-7-[(4-fluorophenyl)methyl]-2-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-6-yl]methanol (CID 175915910) is [(2S)-7-[(4-fluorophenyl)methyl]-2-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-6-yl]methanol.
What is the SMILES notation for [(2S)-7-[(4-fluorophenyl)methyl]-2-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-6-yl]methanol?
The canonical SMILES for [(2S)-7-[(4-fluorophenyl)methyl]-2-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-6-yl]methanol is C[C@H]1COc2nc(CO)c(Cc3ccc(F)cc3)cc2N1.
What is the InChIKey of [(2S)-7-[(4-fluorophenyl)methyl]-2-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-6-yl]methanol?
The InChIKey is UIZZGXZDCJLVDF-JTQLQIEISA-N. The full InChI is InChI=1S/C16H17FN2O2/c1-10-9-21-16-14(18-10)7-12(15(8-20)19-16)6-11-2-4-13(17)5-3-11/h2-5,7,10,18,20H,6,8-9H2,1H3/t10-/m0/s1.
What are the key properties of [(2S)-7-[(4-fluorophenyl)methyl]-2-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-6-yl]methanol?
[(2S)-7-[(4-fluorophenyl)methyl]-2-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-6-yl]methanol has a molecular weight of 288.32 g/mol, XLogP of 2.50, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-7-[(4-fluorophenyl)methyl]-2-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-6-yl]methanol is sourced from PubChem (CID 175915910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).