(5Z)-2-[2-(5-phenyl-1,3-oxazol-2-yl)ethyl]-5-[[4-(trifluoromethoxy)phenyl]methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one

C23H15F3N4O3S — CID 177165983

IUPAC(5Z)-2-[2-(5-phenyl-1,3-oxazol-2-yl)ethyl]-5-[[4-(trifluoromethoxy)phenyl]methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
SMILESO=c1/c(=C/c2ccc(OC(F)(F)F)cc2)sc2nc(CCc3ncc(-c4ccccc4)o3)nn12
InChIInChI=1S/C23H15F3N4O3S/c24-23(25,26)33-16-8-6-14(7-9-16)12-18-21(31)30-22(34-18)28-19(29-30)10-11-20-27-13-17(32-20)15-4-2-1-3-5-15/h1-9,12-13H,10-11H2/b18-12-
InChIKeyCXOPIIGARHVJEA-PDGQHHTCSA-N
MW484.46 g/mol
LogP4.04
Rot. Bonds6

About (5Z)-2-[2-(5-phenyl-1,3-oxazol-2-yl)ethyl]-5-[[4-(trifluoromethoxy)phenyl]methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one

(5Z)-2-[2-(5-phenyl-1,3-oxazol-2-yl)ethyl]-5-[[4-(trifluoromethoxy)phenyl]methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one (PubChem CID 177165983) has the molecular formula C23H15F3N4O3S and a molecular weight of 484.46 g/mol. Its IUPAC name is (5Z)-2-[2-(5-phenyl-1,3-oxazol-2-yl)ethyl]-5-[[4-(trifluoromethoxy)phenyl]methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one.

Molecular Properties

Compound Name(5Z)-2-[2-(5-phenyl-1,3-oxazol-2-yl)ethyl]-5-[[4-(trifluoromethoxy)phenyl]methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
PubChem CID177165983
Molecular FormulaC23H15F3N4O3S
Molecular Weight484.46 g/mol
Exact Mass484.08
IUPAC Name(5Z)-2-[2-(5-phenyl-1,3-oxazol-2-yl)ethyl]-5-[[4-(trifluoromethoxy)phenyl]methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
SMILESO=c1/c(=C/c2ccc(OC(F)(F)F)cc2)sc2nc(CCc3ncc(-c4ccccc4)o3)nn12
InChIInChI=1S/C23H15F3N4O3S/c24-23(25,26)33-16-8-6-14(7-9-16)12-18-21(31)30-22(34-18)28-19(29-30)10-11-20-27-13-17(32-20)15-4-2-1-3-5-15/h1-9,12-13H,10-11H2/b18-12-
InChIKeyCXOPIIGARHVJEA-PDGQHHTCSA-N
XLogP4.04
TPSA82.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.46
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze (5Z)-2-[2-(5-phenyl-1,3-oxazol-2-yl)ethyl]-5-[[4-(trifluoromethoxy)phenyl]methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one with MolForge

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Related Compounds

2-[(4-methylphenoxy)methyl]-5-[(5-phenylfuran-2-yl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 4709905
(5Z)-5-[(4-fluorophenyl)methylidene]-2-propyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 19256244
6-phenyl-2-[(4-prop-2-enoxyphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
CID 4688841
4-[5-[[2-[(4-bromophenoxy)methyl]-6-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene]methyl]furan-2-yl]benzoic acid
CID 4709985
(5Z)-5-[(4-chloro-3-nitrophenyl)methylidene]-2-[2-[2-(trifluoromethyl)phenyl]ethyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 177165920
(5Z)-2-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]-5-[[4-(trifluoromethyl)phenyl]methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 177166055
(5Z)-2-phenyl-5-[(5-phenylfuran-2-yl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 7454576
(5Z)-5-[(4-bromophenyl)methylidene]-2-[2-(3,4-dimethoxyphenyl)ethyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 177166027
(5Z)-5-[(4-methoxyphenyl)methylidene]-2-pyridin-3-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 6527417
(5Z)-2-phenyl-5-(pyridin-4-ylmethylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 6126652
2-(4-fluorophenyl)-5-[(4-propoxyphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 3538407
5-benzylidene-2-(4-hexoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 3677078

Frequently Asked Questions

What is the IUPAC name of (5Z)-2-[2-(5-phenyl-1,3-oxazol-2-yl)ethyl]-5-[[4-(trifluoromethoxy)phenyl]methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
The IUPAC name of (5Z)-2-[2-(5-phenyl-1,3-oxazol-2-yl)ethyl]-5-[[4-(trifluoromethoxy)phenyl]methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one (CID 177165983) is (5Z)-2-[2-(5-phenyl-1,3-oxazol-2-yl)ethyl]-5-[[4-(trifluoromethoxy)phenyl]methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one.
What is the SMILES notation for (5Z)-2-[2-(5-phenyl-1,3-oxazol-2-yl)ethyl]-5-[[4-(trifluoromethoxy)phenyl]methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
The canonical SMILES for (5Z)-2-[2-(5-phenyl-1,3-oxazol-2-yl)ethyl]-5-[[4-(trifluoromethoxy)phenyl]methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one is O=c1/c(=C/c2ccc(OC(F)(F)F)cc2)sc2nc(CCc3ncc(-c4ccccc4)o3)nn12.
What is the InChIKey of (5Z)-2-[2-(5-phenyl-1,3-oxazol-2-yl)ethyl]-5-[[4-(trifluoromethoxy)phenyl]methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
The InChIKey is CXOPIIGARHVJEA-PDGQHHTCSA-N. The full InChI is InChI=1S/C23H15F3N4O3S/c24-23(25,26)33-16-8-6-14(7-9-16)12-18-21(31)30-22(34-18)28-19(29-30)10-11-20-27-13-17(32-20)15-4-2-1-3-5-15/h1-9,12-13H,10-11H2/b18-12-.
What are the key properties of (5Z)-2-[2-(5-phenyl-1,3-oxazol-2-yl)ethyl]-5-[[4-(trifluoromethoxy)phenyl]methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
(5Z)-2-[2-(5-phenyl-1,3-oxazol-2-yl)ethyl]-5-[[4-(trifluoromethoxy)phenyl]methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one has a molecular weight of 484.46 g/mol, XLogP of 4.04, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2-[2-(5-phenyl-1,3-oxazol-2-yl)ethyl]-5-[[4-(trifluoromethoxy)phenyl]methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one is sourced from PubChem (CID 177165983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).