[(3S)-3-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl]-(2,3,5,6-tetrafluorophenyl)methanone

C15H10F4N2O2 — CID 97094755

IUPAC[(3S)-3-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl]-(2,3,5,6-tetrafluorophenyl)methanone
SMILESC[C@H]1CN(C(=O)c2c(F)c(F)cc(F)c2F)c2cccnc2O1
InChIInChI=1S/C15H10F4N2O2/c1-7-6-21(10-3-2-4-20-14(10)23-7)15(22)11-12(18)8(16)5-9(17)13(11)19/h2-5,7H,6H2,1H3/t7-/m0/s1
InChIKeyWHWUYUDBHMIFCH-ZETCQYMHSA-N
MW326.25 g/mol
LogP3.07
Rot. Bonds1

About [(3S)-3-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl]-(2,3,5,6-tetrafluorophenyl)methanone

[(3S)-3-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl]-(2,3,5,6-tetrafluorophenyl)methanone (PubChem CID 97094755) has the molecular formula C15H10F4N2O2 and a molecular weight of 326.25 g/mol. Its IUPAC name is [(3S)-3-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl]-(2,3,5,6-tetrafluorophenyl)methanone.

Molecular Properties

Compound Name[(3S)-3-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl]-(2,3,5,6-tetrafluorophenyl)methanone
PubChem CID97094755
Molecular FormulaC15H10F4N2O2
Molecular Weight326.25 g/mol
Exact Mass326.07
IUPAC Name[(3S)-3-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl]-(2,3,5,6-tetrafluorophenyl)methanone
SMILESC[C@H]1CN(C(=O)c2c(F)c(F)cc(F)c2F)c2cccnc2O1
InChIInChI=1S/C15H10F4N2O2/c1-7-6-21(10-3-2-4-20-14(10)23-7)15(22)11-12(18)8(16)5-9(17)13(11)19/h2-5,7H,6H2,1H3/t7-/m0/s1
InChIKeyWHWUYUDBHMIFCH-ZETCQYMHSA-N
XLogP3.07
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.25
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze [(3S)-3-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl]-(2,3,5,6-tetrafluorophenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methyl-3-[(3S)-3-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carbonyl]chromen-2-one
CID 99827036
(5-methyl-1-benzofuran-2-yl)-(3-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)methanone
CID 75469676
(5-bromo-1-benzofuran-2-yl)-[(3S)-3-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl]methanone
CID 97326298
1,3-dimethyl-2,3-dihydropyrido[2,3-b][1,4]oxazine
CID 150405091
4-methyl-7-(3-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carbonyl)-1,3-dihydropyrido[2,3-b]pyrazin-2-one
CID 154765396
[(2S)-8-fluoro-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]-(2-pyrimidin-2-yl-1,3-thiazol-5-yl)methanone
CID 99822617
(3-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)-[(1R,2R)-2-thiophen-3-ylcyclopropyl]methanone
CID 138037556
1-(2-fluoro-4-methylphenyl)sulfonyl-3-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazine
CID 71911176
1-(4-fluorophenyl)sulfonyl-3-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazine
CID 71844771
[(2R)-7-fluoro-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]-(2-pyridin-2-yl-1,3-thiazol-5-yl)methanone
CID 99817323
[(2S)-2,6-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl]-(4-methyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)methanone
CID 96568872
1-(8-fluoro-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone
CID 126795372

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl]-(2,3,5,6-tetrafluorophenyl)methanone?
The IUPAC name of [(3S)-3-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl]-(2,3,5,6-tetrafluorophenyl)methanone (CID 97094755) is [(3S)-3-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl]-(2,3,5,6-tetrafluorophenyl)methanone.
What is the SMILES notation for [(3S)-3-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl]-(2,3,5,6-tetrafluorophenyl)methanone?
The canonical SMILES for [(3S)-3-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl]-(2,3,5,6-tetrafluorophenyl)methanone is C[C@H]1CN(C(=O)c2c(F)c(F)cc(F)c2F)c2cccnc2O1.
What is the InChIKey of [(3S)-3-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl]-(2,3,5,6-tetrafluorophenyl)methanone?
The InChIKey is WHWUYUDBHMIFCH-ZETCQYMHSA-N. The full InChI is InChI=1S/C15H10F4N2O2/c1-7-6-21(10-3-2-4-20-14(10)23-7)15(22)11-12(18)8(16)5-9(17)13(11)19/h2-5,7H,6H2,1H3/t7-/m0/s1.
What are the key properties of [(3S)-3-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl]-(2,3,5,6-tetrafluorophenyl)methanone?
[(3S)-3-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl]-(2,3,5,6-tetrafluorophenyl)methanone has a molecular weight of 326.25 g/mol, XLogP of 3.07, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl]-(2,3,5,6-tetrafluorophenyl)methanone is sourced from PubChem (CID 97094755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).