(1R)-4-[[5-(4-chlorophenyl)-1,2-oxazol-4-yl]methyl]-2,2-dimethyl-1,4-thiazinane 1-oxide

C16H19ClN2O2S — CID 97350145

IUPAC(1R)-4-[[5-(4-chlorophenyl)-1,2-oxazol-4-yl]methyl]-2,2-dimethyl-1,4-thiazinane 1-oxide
SMILESCC1(C)CN(Cc2cnoc2-c2ccc(Cl)cc2)CC[S@]1=O
InChIInChI=1S/C16H19ClN2O2S/c1-16(2)11-19(7-8-22(16)20)10-13-9-18-21-15(13)12-3-5-14(17)6-4-12/h3-6,9H,7-8,10-11H2,1-2H3/t22-/m1/s1
InChIKeyAWAPPYDOTJXALO-JOCHJYFZSA-N
MW338.86 g/mol
LogP3.34
Rot. Bonds3

About (1R)-4-[[5-(4-chlorophenyl)-1,2-oxazol-4-yl]methyl]-2,2-dimethyl-1,4-thiazinane 1-oxide

(1R)-4-[[5-(4-chlorophenyl)-1,2-oxazol-4-yl]methyl]-2,2-dimethyl-1,4-thiazinane 1-oxide (PubChem CID 97350145) has the molecular formula C16H19ClN2O2S and a molecular weight of 338.86 g/mol. Its IUPAC name is (1R)-4-[[5-(4-chlorophenyl)-1,2-oxazol-4-yl]methyl]-2,2-dimethyl-1,4-thiazinane 1-oxide.

Molecular Properties

Compound Name(1R)-4-[[5-(4-chlorophenyl)-1,2-oxazol-4-yl]methyl]-2,2-dimethyl-1,4-thiazinane 1-oxide
PubChem CID97350145
Molecular FormulaC16H19ClN2O2S
Molecular Weight338.86 g/mol
Exact Mass338.09
IUPAC Name(1R)-4-[[5-(4-chlorophenyl)-1,2-oxazol-4-yl]methyl]-2,2-dimethyl-1,4-thiazinane 1-oxide
SMILESCC1(C)CN(Cc2cnoc2-c2ccc(Cl)cc2)CC[S@]1=O
InChIInChI=1S/C16H19ClN2O2S/c1-16(2)11-19(7-8-22(16)20)10-13-9-18-21-15(13)12-3-5-14(17)6-4-12/h3-6,9H,7-8,10-11H2,1-2H3/t22-/m1/s1
InChIKeyAWAPPYDOTJXALO-JOCHJYFZSA-N
XLogP3.34
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.86
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (1R)-4-[[5-(4-chlorophenyl)-1,2-oxazol-4-yl]methyl]-2,2-dimethyl-1,4-thiazinane 1-oxide with MolForge

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Related Compounds

[5-(4-chlorophenyl)-1,2-oxazol-4-yl]methanol
CID 97032664
N-[[5-(4-chlorophenyl)-1,2-oxazol-4-yl]methyl]ethanamine
CID 65239703
4-[(5-phenyl-1,2-oxazol-4-yl)methyl]morpholine
CID 53015294
methyl 3-[5-(4-chlorophenyl)-1,2-oxazol-4-yl]propanoate
CID 22221228
(1R)-2,2-dimethyl-4-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-1,4-thiazinane 1-oxide
CID 97232371
4-(chloromethyl)-5-(4-nitrophenyl)-1,2-oxazole
CID 65240202
[4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-(3-methyloxetan-3-yl)methanone
CID 127808808
N-[[5-(4-nitrophenyl)-1,2-oxazol-4-yl]methyl]propan-2-amine
CID 65239538
1-[4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-3-methylbutan-1-one
CID 39585952
3-[5-(3-chloro-4-fluorophenyl)-1,2-oxazol-4-yl]-1-(4-methylpiperazin-1-yl)propan-1-one;2,2,2-trifluoroacetic acid
CID 22221046
(5R)-7-[[5-(4-chlorophenyl)furan-2-yl]methyl]-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 95868557
(3S)-1-[[6-(4-chlorophenyl)-[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl]-3-methylpiperidin-3-ol
CID 95893706

Frequently Asked Questions

What is the IUPAC name of (1R)-4-[[5-(4-chlorophenyl)-1,2-oxazol-4-yl]methyl]-2,2-dimethyl-1,4-thiazinane 1-oxide?
The IUPAC name of (1R)-4-[[5-(4-chlorophenyl)-1,2-oxazol-4-yl]methyl]-2,2-dimethyl-1,4-thiazinane 1-oxide (CID 97350145) is (1R)-4-[[5-(4-chlorophenyl)-1,2-oxazol-4-yl]methyl]-2,2-dimethyl-1,4-thiazinane 1-oxide.
What is the SMILES notation for (1R)-4-[[5-(4-chlorophenyl)-1,2-oxazol-4-yl]methyl]-2,2-dimethyl-1,4-thiazinane 1-oxide?
The canonical SMILES for (1R)-4-[[5-(4-chlorophenyl)-1,2-oxazol-4-yl]methyl]-2,2-dimethyl-1,4-thiazinane 1-oxide is CC1(C)CN(Cc2cnoc2-c2ccc(Cl)cc2)CC[S@]1=O.
What is the InChIKey of (1R)-4-[[5-(4-chlorophenyl)-1,2-oxazol-4-yl]methyl]-2,2-dimethyl-1,4-thiazinane 1-oxide?
The InChIKey is AWAPPYDOTJXALO-JOCHJYFZSA-N. The full InChI is InChI=1S/C16H19ClN2O2S/c1-16(2)11-19(7-8-22(16)20)10-13-9-18-21-15(13)12-3-5-14(17)6-4-12/h3-6,9H,7-8,10-11H2,1-2H3/t22-/m1/s1.
What are the key properties of (1R)-4-[[5-(4-chlorophenyl)-1,2-oxazol-4-yl]methyl]-2,2-dimethyl-1,4-thiazinane 1-oxide?
(1R)-4-[[5-(4-chlorophenyl)-1,2-oxazol-4-yl]methyl]-2,2-dimethyl-1,4-thiazinane 1-oxide has a molecular weight of 338.86 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-4-[[5-(4-chlorophenyl)-1,2-oxazol-4-yl]methyl]-2,2-dimethyl-1,4-thiazinane 1-oxide is sourced from PubChem (CID 97350145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).