(5R)-5-[2-fluoro-5-(4-methylsulfanylbutyl)phenyl]-5-methyl-2,6-dihydro-1,4-oxazin-3-amine

C16H23FN2OS — CID 159326418

IUPAC(5R)-5-[2-fluoro-5-(4-methylsulfanylbutyl)phenyl]-5-methyl-2,6-dihydro-1,4-oxazin-3-amine
SMILESCSCCCCc1ccc(F)c([C@]2(C)COCC(N)=N2)c1
InChIInChI=1S/C16H23FN2OS/c1-16(11-20-10-15(18)19-16)13-9-12(6-7-14(13)17)5-3-4-8-21-2/h6-7,9H,3-5,8,10-11H2,1-2H3,(H2,18,19)/t16-/m0/s1
InChIKeyLEKPDNAYLASJSX-INIZCTEOSA-N
MW310.44 g/mol
LogP3.11
Rot. Bonds6

About (5R)-5-[2-fluoro-5-(4-methylsulfanylbutyl)phenyl]-5-methyl-2,6-dihydro-1,4-oxazin-3-amine

(5R)-5-[2-fluoro-5-(4-methylsulfanylbutyl)phenyl]-5-methyl-2,6-dihydro-1,4-oxazin-3-amine (PubChem CID 159326418) has the molecular formula C16H23FN2OS and a molecular weight of 310.44 g/mol. Its IUPAC name is (5R)-5-[2-fluoro-5-(4-methylsulfanylbutyl)phenyl]-5-methyl-2,6-dihydro-1,4-oxazin-3-amine.

Molecular Properties

Compound Name(5R)-5-[2-fluoro-5-(4-methylsulfanylbutyl)phenyl]-5-methyl-2,6-dihydro-1,4-oxazin-3-amine
PubChem CID159326418
Molecular FormulaC16H23FN2OS
Molecular Weight310.44 g/mol
Exact Mass310.15
IUPAC Name(5R)-5-[2-fluoro-5-(4-methylsulfanylbutyl)phenyl]-5-methyl-2,6-dihydro-1,4-oxazin-3-amine
SMILESCSCCCCc1ccc(F)c([C@]2(C)COCC(N)=N2)c1
InChIInChI=1S/C16H23FN2OS/c1-16(11-20-10-15(18)19-16)13-9-12(6-7-14(13)17)5-3-4-8-21-2/h6-7,9H,3-5,8,10-11H2,1-2H3,(H2,18,19)/t16-/m0/s1
InChIKeyLEKPDNAYLASJSX-INIZCTEOSA-N
XLogP3.11
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (5R)-5-[2-fluoro-5-(4-methylsulfanylbutyl)phenyl]-5-methyl-2,6-dihydro-1,4-oxazin-3-amine with MolForge

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Related Compounds

1-[3-(5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl)-4-fluorophenyl]-4,4,4-trifluorobutan-2-one
CID 58155294
2-[3-[(3R)-5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]-1-(3,3-difluorocyclobutyl)ethanone
CID 58155251
2-[3-(5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl)-4-fluorophenyl]-1-(5-thiophen-2-yl-1,2-oxazol-3-yl)ethanone
CID 58155324
2-[3-[(3R)-5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]-1-[5-(difluoromethoxy)-2-pyridinyl]ethanone
CID 58155279
1-[3-[(3R)-5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]-4,4,4-trifluoro-3-(oxolan-2-ylmethyl)butan-2-one
CID 58155319
(5R)-N-[bis(4-methoxyphenyl)-phenylmethyl]-5-(2-fluoro-5-pentylphenyl)-5-methyl-2,6-dihydro-1,4-oxazin-3-amine
CID 158365159
2-[3-[(5S)-3-amino-5-methyl-6,7-dihydro-2H-1,4-oxazepin-5-yl]-4-fluorophenyl]-1-(2,2-difluorocyclopropyl)ethanone
CID 58563102
N-[3-(5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl)-4-fluorophenyl]-5-bromo-3-methylpyridine-2-carboxamide
CID 50914977
(5R)-5-[5-[(5-chloro-2,3-dihydro-1H-inden-1-yl)amino]-2-fluorophenyl]-5-methyl-2,6-dihydro-1,4-oxazin-3-amine
CID 70576999
(5R)-5-[5-(cyclopentylmethyl)-2-fluorophenyl]-5-ethyl-6-fluoro-6-methyl-2,7-dihydro-1,4-oxazepin-3-amine
CID 58563127
N-[3-[(3R)-5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]-2-(fluoromethyl)-3-(oxolan-2-yl)propanamide
CID 67763701
(5R)-5-[5-[(3-chloroquinolin-8-yl)amino]-2-fluorophenyl]-5-methyl-2,6-dihydro-1,4-oxazin-3-amine
CID 57412091

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[2-fluoro-5-(4-methylsulfanylbutyl)phenyl]-5-methyl-2,6-dihydro-1,4-oxazin-3-amine?
The IUPAC name of (5R)-5-[2-fluoro-5-(4-methylsulfanylbutyl)phenyl]-5-methyl-2,6-dihydro-1,4-oxazin-3-amine (CID 159326418) is (5R)-5-[2-fluoro-5-(4-methylsulfanylbutyl)phenyl]-5-methyl-2,6-dihydro-1,4-oxazin-3-amine.
What is the SMILES notation for (5R)-5-[2-fluoro-5-(4-methylsulfanylbutyl)phenyl]-5-methyl-2,6-dihydro-1,4-oxazin-3-amine?
The canonical SMILES for (5R)-5-[2-fluoro-5-(4-methylsulfanylbutyl)phenyl]-5-methyl-2,6-dihydro-1,4-oxazin-3-amine is CSCCCCc1ccc(F)c([C@]2(C)COCC(N)=N2)c1.
What is the InChIKey of (5R)-5-[2-fluoro-5-(4-methylsulfanylbutyl)phenyl]-5-methyl-2,6-dihydro-1,4-oxazin-3-amine?
The InChIKey is LEKPDNAYLASJSX-INIZCTEOSA-N. The full InChI is InChI=1S/C16H23FN2OS/c1-16(11-20-10-15(18)19-16)13-9-12(6-7-14(13)17)5-3-4-8-21-2/h6-7,9H,3-5,8,10-11H2,1-2H3,(H2,18,19)/t16-/m0/s1.
What are the key properties of (5R)-5-[2-fluoro-5-(4-methylsulfanylbutyl)phenyl]-5-methyl-2,6-dihydro-1,4-oxazin-3-amine?
(5R)-5-[2-fluoro-5-(4-methylsulfanylbutyl)phenyl]-5-methyl-2,6-dihydro-1,4-oxazin-3-amine has a molecular weight of 310.44 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[2-fluoro-5-(4-methylsulfanylbutyl)phenyl]-5-methyl-2,6-dihydro-1,4-oxazin-3-amine is sourced from PubChem (CID 159326418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).