4-[[6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-3-pyridinyl]methylidene]-1,3-thiazolidine-2,5-dione

C20H15N3O4S — CID 70286465

IUPAC4-[[6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-3-pyridinyl]methylidene]-1,3-thiazolidine-2,5-dione
SMILESCc1oc(-c2ccccc2)nc1COc1ccc(C=C2NC(=O)SC2=O)cn1
InChIInChI=1S/C20H15N3O4S/c1-12-16(22-18(27-12)14-5-3-2-4-6-14)11-26-17-8-7-13(10-21-17)9-15-19(24)28-20(25)23-15/h2-10H,11H2,1H3,(H,23,25)
InChIKeyZFKKCYYJQGBCNX-UHFFFAOYSA-N
MW393.42 g/mol
LogP3.95
Rot. Bonds5

About 4-[[6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-3-pyridinyl]methylidene]-1,3-thiazolidine-2,5-dione

4-[[6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-3-pyridinyl]methylidene]-1,3-thiazolidine-2,5-dione (PubChem CID 70286465) has the molecular formula C20H15N3O4S and a molecular weight of 393.42 g/mol. Its IUPAC name is 4-[[6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-3-pyridinyl]methylidene]-1,3-thiazolidine-2,5-dione.

Molecular Properties

Compound Name4-[[6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-3-pyridinyl]methylidene]-1,3-thiazolidine-2,5-dione
PubChem CID70286465
Molecular FormulaC20H15N3O4S
Molecular Weight393.42 g/mol
Exact Mass393.08
IUPAC Name4-[[6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-3-pyridinyl]methylidene]-1,3-thiazolidine-2,5-dione
SMILESCc1oc(-c2ccccc2)nc1COc1ccc(C=C2NC(=O)SC2=O)cn1
InChIInChI=1S/C20H15N3O4S/c1-12-16(22-18(27-12)14-5-3-2-4-6-14)11-26-17-8-7-13(10-21-17)9-15-19(24)28-20(25)23-15/h2-10H,11H2,1H3,(H,23,25)
InChIKeyZFKKCYYJQGBCNX-UHFFFAOYSA-N
XLogP3.95
TPSA94.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.42
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[[6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-3-pyridinyl]methylidene]-1,3-thiazolidine-2,5-dione?
The IUPAC name of 4-[[6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-3-pyridinyl]methylidene]-1,3-thiazolidine-2,5-dione (CID 70286465) is 4-[[6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-3-pyridinyl]methylidene]-1,3-thiazolidine-2,5-dione.
What is the SMILES notation for 4-[[6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-3-pyridinyl]methylidene]-1,3-thiazolidine-2,5-dione?
The canonical SMILES for 4-[[6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-3-pyridinyl]methylidene]-1,3-thiazolidine-2,5-dione is Cc1oc(-c2ccccc2)nc1COc1ccc(C=C2NC(=O)SC2=O)cn1.
What is the InChIKey of 4-[[6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-3-pyridinyl]methylidene]-1,3-thiazolidine-2,5-dione?
The InChIKey is ZFKKCYYJQGBCNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O4S/c1-12-16(22-18(27-12)14-5-3-2-4-6-14)11-26-17-8-7-13(10-21-17)9-15-19(24)28-20(25)23-15/h2-10H,11H2,1H3,(H,23,25).
What are the key properties of 4-[[6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-3-pyridinyl]methylidene]-1,3-thiazolidine-2,5-dione?
4-[[6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-3-pyridinyl]methylidene]-1,3-thiazolidine-2,5-dione has a molecular weight of 393.42 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-3-pyridinyl]methylidene]-1,3-thiazolidine-2,5-dione is sourced from PubChem (CID 70286465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).