4-[2-(3-methyl-1,3-thiazolidin-2-ylidene)ethylidene]-2-phenyl-1,3-oxazol-5-one

C15H14N2O2S — CID 3429426

IUPAC4-[2-(3-methyl-1,3-thiazolidin-2-ylidene)ethylidene]-2-phenyl-1,3-oxazol-5-one
SMILESCN1CCSC1=CC=C1N=C(c2ccccc2)OC1=O
InChIInChI=1S/C15H14N2O2S/c1-17-9-10-20-13(17)8-7-12-15(18)19-14(16-12)11-5-3-2-4-6-11/h2-8H,9-10H2,1H3
InChIKeyUDKWYZBLDFFYDO-UHFFFAOYSA-N
MW286.36 g/mol
LogP2.39
Rot. Bonds2

About 4-[2-(3-methyl-1,3-thiazolidin-2-ylidene)ethylidene]-2-phenyl-1,3-oxazol-5-one

4-[2-(3-methyl-1,3-thiazolidin-2-ylidene)ethylidene]-2-phenyl-1,3-oxazol-5-one (PubChem CID 3429426) has the molecular formula C15H14N2O2S and a molecular weight of 286.36 g/mol. Its IUPAC name is 4-[2-(3-methyl-1,3-thiazolidin-2-ylidene)ethylidene]-2-phenyl-1,3-oxazol-5-one.

Molecular Properties

Compound Name4-[2-(3-methyl-1,3-thiazolidin-2-ylidene)ethylidene]-2-phenyl-1,3-oxazol-5-one
PubChem CID3429426
Molecular FormulaC15H14N2O2S
Molecular Weight286.36 g/mol
Exact Mass286.08
IUPAC Name4-[2-(3-methyl-1,3-thiazolidin-2-ylidene)ethylidene]-2-phenyl-1,3-oxazol-5-one
SMILESCN1CCSC1=CC=C1N=C(c2ccccc2)OC1=O
InChIInChI=1S/C15H14N2O2S/c1-17-9-10-20-13(17)8-7-12-15(18)19-14(16-12)11-5-3-2-4-6-11/h2-8H,9-10H2,1H3
InChIKeyUDKWYZBLDFFYDO-UHFFFAOYSA-N
XLogP2.39
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(4E)-4-(morpholin-4-ylmethylidene)-2-phenyl-1,3-oxazol-5-one
CID 11118732
(4Z)-4-(3-methylbut-2-enylidene)-2-phenyl-1,3-oxazol-5-one
CID 42603547
(4Z)-4-(chloromethylidene)-2-phenyl-1,3-oxazol-5-one
CID 5369649
(4Z)-4-(2-methylpropylidene)-2-phenyl-1,3-oxazol-5-one
CID 5369550
(4E)-4-[(5-ethylthiophen-2-yl)methylidene]-2-phenyl-1,3-oxazol-5-one
CID 6257969
(4E)-2-phenyl-4-[(4-phenylphenyl)methylidene]-1,3-oxazol-5-one
CID 690059
4-[(2-iodophenyl)methylidene]-2-phenyl-1,3-oxazol-5-one
CID 1270631
4-[(5-methoxythiophen-2-yl)methylidene]-2-phenyl-1,3-oxazol-5-one
CID 2732460
(4Z)-4-[(5-bromothiophen-2-yl)methylidene]-2-phenyl-1,3-oxazol-5-one
CID 5407066
(4Z)-4-[(4-methylimidazol-1-yl)methylidene]-2-phenyl-1,3-oxazol-5-one
CID 13234659
(4E)-4-[(2Z)-2-benzylidenebutylidene]-2-phenyl-1,3-oxazol-5-one
CID 876956
4-[[5-(4-methylphenyl)furan-2-yl]methylidene]-2-phenyl-1,3-oxazol-5-one
CID 876248

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-methyl-1,3-thiazolidin-2-ylidene)ethylidene]-2-phenyl-1,3-oxazol-5-one?
The IUPAC name of 4-[2-(3-methyl-1,3-thiazolidin-2-ylidene)ethylidene]-2-phenyl-1,3-oxazol-5-one (CID 3429426) is 4-[2-(3-methyl-1,3-thiazolidin-2-ylidene)ethylidene]-2-phenyl-1,3-oxazol-5-one.
What is the SMILES notation for 4-[2-(3-methyl-1,3-thiazolidin-2-ylidene)ethylidene]-2-phenyl-1,3-oxazol-5-one?
The canonical SMILES for 4-[2-(3-methyl-1,3-thiazolidin-2-ylidene)ethylidene]-2-phenyl-1,3-oxazol-5-one is CN1CCSC1=CC=C1N=C(c2ccccc2)OC1=O.
What is the InChIKey of 4-[2-(3-methyl-1,3-thiazolidin-2-ylidene)ethylidene]-2-phenyl-1,3-oxazol-5-one?
The InChIKey is UDKWYZBLDFFYDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2S/c1-17-9-10-20-13(17)8-7-12-15(18)19-14(16-12)11-5-3-2-4-6-11/h2-8H,9-10H2,1H3.
What are the key properties of 4-[2-(3-methyl-1,3-thiazolidin-2-ylidene)ethylidene]-2-phenyl-1,3-oxazol-5-one?
4-[2-(3-methyl-1,3-thiazolidin-2-ylidene)ethylidene]-2-phenyl-1,3-oxazol-5-one has a molecular weight of 286.36 g/mol, XLogP of 2.39, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-methyl-1,3-thiazolidin-2-ylidene)ethylidene]-2-phenyl-1,3-oxazol-5-one is sourced from PubChem (CID 3429426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).