4-[4-[2-(2-bicyclo[1.1.1]pentanyl)-1,3-oxazol-4-yl]phenyl]-1,4-thiazinane 1-oxide

C18H20N2O2S — CID 144828357

IUPAC4-[4-[2-(2-bicyclo[1.1.1]pentanyl)-1,3-oxazol-4-yl]phenyl]-1,4-thiazinane 1-oxide
SMILESO=S1CCN(c2ccc(-c3coc(C4C5CC4C5)n3)cc2)CC1
InChIInChI=1S/C18H20N2O2S/c21-23-7-5-20(6-8-23)15-3-1-12(2-4-15)16-11-22-18(19-16)17-13-9-14(17)10-13/h1-4,11,13-14,17H,5-10H2
InChIKeyINUVNJJXCGEDLZ-UHFFFAOYSA-N
MW328.44 g/mol
LogP3.03
Rot. Bonds3

About 4-[4-[2-(2-bicyclo[1.1.1]pentanyl)-1,3-oxazol-4-yl]phenyl]-1,4-thiazinane 1-oxide

4-[4-[2-(2-bicyclo[1.1.1]pentanyl)-1,3-oxazol-4-yl]phenyl]-1,4-thiazinane 1-oxide (PubChem CID 144828357) has the molecular formula C18H20N2O2S and a molecular weight of 328.44 g/mol. Its IUPAC name is 4-[4-[2-(2-bicyclo[1.1.1]pentanyl)-1,3-oxazol-4-yl]phenyl]-1,4-thiazinane 1-oxide.

Molecular Properties

Compound Name4-[4-[2-(2-bicyclo[1.1.1]pentanyl)-1,3-oxazol-4-yl]phenyl]-1,4-thiazinane 1-oxide
PubChem CID144828357
Molecular FormulaC18H20N2O2S
Molecular Weight328.44 g/mol
Exact Mass328.12
IUPAC Name4-[4-[2-(2-bicyclo[1.1.1]pentanyl)-1,3-oxazol-4-yl]phenyl]-1,4-thiazinane 1-oxide
SMILESO=S1CCN(c2ccc(-c3coc(C4C5CC4C5)n3)cc2)CC1
InChIInChI=1S/C18H20N2O2S/c21-23-7-5-20(6-8-23)15-3-1-12(2-4-15)16-11-22-18(19-16)17-13-9-14(17)10-13/h1-4,11,13-14,17H,5-10H2
InChIKeyINUVNJJXCGEDLZ-UHFFFAOYSA-N
XLogP3.03
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[4-[2-(2-bicyclo[1.1.1]pentanyl)-1,3-oxazol-4-yl]phenyl]-1,4-thiazinane 1-oxide with MolForge

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Related Compounds

4-[4-[2-(3-fluoro-4-pyridinyl)-1,3-oxazol-4-yl]phenyl]-1,4-thiazinane 1-oxide
CID 144828418
3-[4-[4-(1-oxo-1,4-thiazinan-4-yl)phenyl]-1,3-oxazol-2-yl]benzonitrile
CID 144828334
4-[4-[2-[5-(trifluoromethyl)-3-pyridinyl]-1,3-oxazol-4-yl]phenyl]-1,4-thiazinane 1-oxide
CID 144828436
N-(cyanomethyl)cyclohexanecarboxamide;cyclohexane;4-[4-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]phenyl]-1,4-thiazinane 1-oxide
CID 144828290
N-(1-cyanocyclopropyl)cyclohexanecarboxamide;4-[4-[2-(2-methyl-1,3-thiazol-5-yl)-1,3-oxazol-4-yl]phenyl]-1,4-thiazinane 1-oxide
CID 144828282
N-(1-cyanocyclopropyl)cyclohexanecarboxamide;4-[4-[2-(3-methoxyphenyl)-1,3-oxazol-4-yl]phenyl]-1,4-thiazinane 1-oxide
CID 144828410
N-(1-cyanocyclopropyl)cyclohexanecarboxamide;4-[4-[2-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-4-yl]phenyl]-1,4-thiazinane 1-oxide
CID 144828322
4-(1-oxo-1,4-thiazinan-4-yl)benzoic acid
CID 55150925
N-(1-cyanocyclopropyl)cyclohexanecarboxamide;4-[4-[2-[5-(trifluoromethyl)-3-pyridinyl]-1,3-oxazol-4-yl]phenyl]-1,4-thiazinane 1-oxide
CID 144828435
4-[2-(4-methylphenyl)-6-propan-2-yl-4-pyridinyl]-1,4-thiazinane 1-oxide
CID 142648679
4-[4-[2-(2,6-difluorophenyl)-1,3-thiazol-5-yl]phenyl]-1,4-thiazinane 1-oxide
CID 166839576
4-[4-[2-(oxolan-3-yl)-1,3-thiazol-5-yl]phenyl]-1,4-thiazinane 1-oxide
CID 166839620

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(2-bicyclo[1.1.1]pentanyl)-1,3-oxazol-4-yl]phenyl]-1,4-thiazinane 1-oxide?
The IUPAC name of 4-[4-[2-(2-bicyclo[1.1.1]pentanyl)-1,3-oxazol-4-yl]phenyl]-1,4-thiazinane 1-oxide (CID 144828357) is 4-[4-[2-(2-bicyclo[1.1.1]pentanyl)-1,3-oxazol-4-yl]phenyl]-1,4-thiazinane 1-oxide.
What is the SMILES notation for 4-[4-[2-(2-bicyclo[1.1.1]pentanyl)-1,3-oxazol-4-yl]phenyl]-1,4-thiazinane 1-oxide?
The canonical SMILES for 4-[4-[2-(2-bicyclo[1.1.1]pentanyl)-1,3-oxazol-4-yl]phenyl]-1,4-thiazinane 1-oxide is O=S1CCN(c2ccc(-c3coc(C4C5CC4C5)n3)cc2)CC1.
What is the InChIKey of 4-[4-[2-(2-bicyclo[1.1.1]pentanyl)-1,3-oxazol-4-yl]phenyl]-1,4-thiazinane 1-oxide?
The InChIKey is INUVNJJXCGEDLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2S/c21-23-7-5-20(6-8-23)15-3-1-12(2-4-15)16-11-22-18(19-16)17-13-9-14(17)10-13/h1-4,11,13-14,17H,5-10H2.
What are the key properties of 4-[4-[2-(2-bicyclo[1.1.1]pentanyl)-1,3-oxazol-4-yl]phenyl]-1,4-thiazinane 1-oxide?
4-[4-[2-(2-bicyclo[1.1.1]pentanyl)-1,3-oxazol-4-yl]phenyl]-1,4-thiazinane 1-oxide has a molecular weight of 328.44 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(2-bicyclo[1.1.1]pentanyl)-1,3-oxazol-4-yl]phenyl]-1,4-thiazinane 1-oxide is sourced from PubChem (CID 144828357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).