(4Z)-2-(2-methylphenyl)-4-[[4-[(3-methylphenyl)methoxy]phenyl]methylidene]-1,3-oxazol-5-one

C25H21NO3 — CID 19667858

IUPAC(4Z)-2-(2-methylphenyl)-4-[[4-[(3-methylphenyl)methoxy]phenyl]methylidene]-1,3-oxazol-5-one
SMILESCc1cccc(COc2ccc(/C=C3\N=C(c4ccccc4C)OC3=O)cc2)c1
InChIInChI=1S/C25H21NO3/c1-17-6-5-8-20(14-17)16-28-21-12-10-19(11-13-21)15-23-25(27)29-24(26-23)22-9-4-3-7-18(22)2/h3-15H,16H2,1-2H3/b23-15-
InChIKeyZVGYZMDZZNGBRL-HAHDFKILSA-N
MW383.45 g/mol
LogP5.23
Rot. Bonds5

About (4Z)-2-(2-methylphenyl)-4-[[4-[(3-methylphenyl)methoxy]phenyl]methylidene]-1,3-oxazol-5-one

(4Z)-2-(2-methylphenyl)-4-[[4-[(3-methylphenyl)methoxy]phenyl]methylidene]-1,3-oxazol-5-one (PubChem CID 19667858) has the molecular formula C25H21NO3 and a molecular weight of 383.45 g/mol. Its IUPAC name is (4Z)-2-(2-methylphenyl)-4-[[4-[(3-methylphenyl)methoxy]phenyl]methylidene]-1,3-oxazol-5-one.

Molecular Properties

Compound Name(4Z)-2-(2-methylphenyl)-4-[[4-[(3-methylphenyl)methoxy]phenyl]methylidene]-1,3-oxazol-5-one
PubChem CID19667858
Molecular FormulaC25H21NO3
Molecular Weight383.45 g/mol
Exact Mass383.15
IUPAC Name(4Z)-2-(2-methylphenyl)-4-[[4-[(3-methylphenyl)methoxy]phenyl]methylidene]-1,3-oxazol-5-one
SMILESCc1cccc(COc2ccc(/C=C3\N=C(c4ccccc4C)OC3=O)cc2)c1
InChIInChI=1S/C25H21NO3/c1-17-6-5-8-20(14-17)16-28-21-12-10-19(11-13-21)15-23-25(27)29-24(26-23)22-9-4-3-7-18(22)2/h3-15H,16H2,1-2H3/b23-15-
InChIKeyZVGYZMDZZNGBRL-HAHDFKILSA-N
XLogP5.23
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.45
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4Z)-2-(2-chlorophenyl)-4-[[4-[(3-methylphenyl)methoxy]phenyl]methylidene]-1,3-oxazol-5-one
CID 19664060
(4Z)-4-[[4-[(3-chlorophenyl)methoxy]phenyl]methylidene]-2-(2-methylphenyl)-1,3-oxazol-5-one
CID 19667932
(4Z)-4-[[4-[(3-iodophenyl)methoxy]phenyl]methylidene]-2-(2-methylphenyl)-1,3-oxazol-5-one
CID 19668000
(4E)-4-[[3-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]methylidene]-2-(2-methylphenyl)-1,3-oxazol-5-one
CID 6260080
(4Z)-4-[[4-[(4-bromophenyl)methoxy]phenyl]methylidene]-2-(2-methylphenyl)-1,3-oxazol-5-one
CID 19667950
(4Z)-4-[[3-bromo-5-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]methylidene]-2-(2-methylphenyl)-1,3-oxazol-5-one
CID 19667869
2-(2-methylphenyl)-4-[(3-methylphenyl)methylidene]-1,3-oxazol-5-one
CID 3109231
(4Z)-2-(2-methylphenyl)-4-[[4-[(Z)-[2-(2-methylphenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]phenyl]methylidene]-1,3-oxazol-5-one
CID 93051206
4-[[3,4-bis(phenylmethoxy)phenyl]methylidene]-2-(2-methylphenyl)-1,3-oxazol-5-one
CID 3562046
(4Z)-4-[[3-[(3-methylphenyl)methoxy]phenyl]methylidene]-2-phenyl-1,3-oxazol-5-one
CID 19663657
(4Z)-2-(2-bromophenyl)-4-[[4-[(4-methylphenyl)methoxy]phenyl]methylidene]-1,3-oxazol-5-one
CID 19669275
(4Z)-2-(2-chlorophenyl)-4-[[4-[(4-methylphenyl)methoxy]phenyl]methylidene]-1,3-oxazol-5-one
CID 19664071

Frequently Asked Questions

What is the IUPAC name of (4Z)-2-(2-methylphenyl)-4-[[4-[(3-methylphenyl)methoxy]phenyl]methylidene]-1,3-oxazol-5-one?
The IUPAC name of (4Z)-2-(2-methylphenyl)-4-[[4-[(3-methylphenyl)methoxy]phenyl]methylidene]-1,3-oxazol-5-one (CID 19667858) is (4Z)-2-(2-methylphenyl)-4-[[4-[(3-methylphenyl)methoxy]phenyl]methylidene]-1,3-oxazol-5-one.
What is the SMILES notation for (4Z)-2-(2-methylphenyl)-4-[[4-[(3-methylphenyl)methoxy]phenyl]methylidene]-1,3-oxazol-5-one?
The canonical SMILES for (4Z)-2-(2-methylphenyl)-4-[[4-[(3-methylphenyl)methoxy]phenyl]methylidene]-1,3-oxazol-5-one is Cc1cccc(COc2ccc(/C=C3\N=C(c4ccccc4C)OC3=O)cc2)c1.
What is the InChIKey of (4Z)-2-(2-methylphenyl)-4-[[4-[(3-methylphenyl)methoxy]phenyl]methylidene]-1,3-oxazol-5-one?
The InChIKey is ZVGYZMDZZNGBRL-HAHDFKILSA-N. The full InChI is InChI=1S/C25H21NO3/c1-17-6-5-8-20(14-17)16-28-21-12-10-19(11-13-21)15-23-25(27)29-24(26-23)22-9-4-3-7-18(22)2/h3-15H,16H2,1-2H3/b23-15-.
What are the key properties of (4Z)-2-(2-methylphenyl)-4-[[4-[(3-methylphenyl)methoxy]phenyl]methylidene]-1,3-oxazol-5-one?
(4Z)-2-(2-methylphenyl)-4-[[4-[(3-methylphenyl)methoxy]phenyl]methylidene]-1,3-oxazol-5-one has a molecular weight of 383.45 g/mol, XLogP of 5.23, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-2-(2-methylphenyl)-4-[[4-[(3-methylphenyl)methoxy]phenyl]methylidene]-1,3-oxazol-5-one is sourced from PubChem (CID 19667858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).