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

C20H24FN3O3 — CID 175410882

IUPAC[(2S)-7-[(4-fluorophenyl)methyl]-2-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-6-yl] N-tert-butylcarbamate
SMILESC[C@H]1COc2nc(OC(=O)NC(C)(C)C)c(Cc3ccc(F)cc3)cc2N1
InChIInChI=1S/C20H24FN3O3/c1-12-11-26-18-16(22-12)10-14(9-13-5-7-15(21)8-6-13)17(23-18)27-19(25)24-20(2,3)4/h5-8,10,12,22H,9,11H2,1-4H3,(H,24,25)/t12-/m0/s1
InChIKeyQZBWVGMLWFLYRA-LBPRGKRZSA-N
MW373.43 g/mol
LogP3.89
Rot. Bonds3

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

[(2S)-7-[(4-fluorophenyl)methyl]-2-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-6-yl] N-tert-butylcarbamate (PubChem CID 175410882) has the molecular formula C20H24FN3O3 and a molecular weight of 373.43 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] N-tert-butylcarbamate.

Molecular Properties

Compound Name[(2S)-7-[(4-fluorophenyl)methyl]-2-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-6-yl] N-tert-butylcarbamate
PubChem CID175410882
Molecular FormulaC20H24FN3O3
Molecular Weight373.43 g/mol
Exact Mass373.18
IUPAC Name[(2S)-7-[(4-fluorophenyl)methyl]-2-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-6-yl] N-tert-butylcarbamate
SMILESC[C@H]1COc2nc(OC(=O)NC(C)(C)C)c(Cc3ccc(F)cc3)cc2N1
InChIInChI=1S/C20H24FN3O3/c1-12-11-26-18-16(22-12)10-14(9-13-5-7-15(21)8-6-13)17(23-18)27-19(25)24-20(2,3)4/h5-8,10,12,22H,9,11H2,1-4H3,(H,24,25)/t12-/m0/s1
InChIKeyQZBWVGMLWFLYRA-LBPRGKRZSA-N
XLogP3.89
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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
(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]methanol
CID 175915910
(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
[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
[(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
tert-butyl (2S)-6-acetyloxy-7-[(4-fluorophenyl)methyl]-2-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate
CID 167526763
[(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 N-[(2S)-1-(2-chloroacetyl)-7-[(4-fluorophenyl)methyl]-2-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-6-yl]carbamate
CID 167526967
tert-butyl N-[(2S)-1-(2-chloropentyl)-7-[(4-fluorophenyl)methyl]-2-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-6-yl]carbamate
CID 175410957
(2S)-N-tert-butyl-1-[2-[(2R,5R)-2-[[(3R,5R)-3,5-dimethylmorpholin-4-yl]methyl]-5-methylpiperazin-1-yl]acetyl]-7-[(4-fluorophenyl)methyl]-2-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazine-6-carboxamide
CID 167526546
tert-butyl (2S)-7-[(4-fluorophenyl)methyl]-6-[2-(2-methoxyethoxy)ethylcarbamoyl]-2-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate
CID 167526483

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] N-tert-butylcarbamate?
The IUPAC name of [(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) is [(2S)-7-[(4-fluorophenyl)methyl]-2-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-6-yl] N-tert-butylcarbamate.
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] N-tert-butylcarbamate?
The canonical SMILES for [(2S)-7-[(4-fluorophenyl)methyl]-2-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-6-yl] N-tert-butylcarbamate is C[C@H]1COc2nc(OC(=O)NC(C)(C)C)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] N-tert-butylcarbamate?
The InChIKey is QZBWVGMLWFLYRA-LBPRGKRZSA-N. The full InChI is InChI=1S/C20H24FN3O3/c1-12-11-26-18-16(22-12)10-14(9-13-5-7-15(21)8-6-13)17(23-18)27-19(25)24-20(2,3)4/h5-8,10,12,22H,9,11H2,1-4H3,(H,24,25)/t12-/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] N-tert-butylcarbamate?
[(2S)-7-[(4-fluorophenyl)methyl]-2-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-6-yl] N-tert-butylcarbamate has a molecular weight of 373.43 g/mol, XLogP of 3.89, 3 rotatable bonds, 2 hydrogen bond donors, and 5 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] N-tert-butylcarbamate is sourced from PubChem (CID 175410882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).