4-benzylidene-2-phenyl-1,3-oxazol-5-one;4-[(4-chlorophenyl)methylidene]-2-phenyl-1,3-oxazol-5-one;4-[(3,4-dimethoxyphenyl)methylidene]-2-phenyl-1,3-oxazol-5-one;4-[(4-fluorophenyl)methylidene]-2-phenyl-1,3-oxazol-5-one;4-[(4-hydroxyphenyl)methylidene]-2-phenyl-1,3-oxazol-5-one

C82H57ClFN5O13 — CID 165095412

IUPAC4-benzylidene-2-phenyl-1,3-oxazol-5-one;4-[(4-chlorophenyl)methylidene]-2-phenyl-1,3-oxazol-5-one;4-[(3,4-dimethoxyphenyl)methylidene]-2-phenyl-1,3-oxazol-5-one;4-[(4-fluorophenyl)methylidene]-2-phenyl-1,3-oxazol-5-one;4-[(4-hydroxyphenyl)methylidene]-2-phenyl-1,3-oxazol-5-one
SMILESCOc1ccc(C=C2N=C(c3ccccc3)OC2=O)cc1OC.O=C1OC(c2ccccc2)=NC1=Cc1ccc(Cl)cc1.O=C1OC(c2ccccc2)=NC1=Cc1ccc(F)cc1.O=C1OC(c2ccccc2)=NC1=Cc1ccc(O)cc1.O=C1OC(c2ccccc2)=NC1=Cc1ccccc1
InChIInChI=1S/C18H15NO4.C16H10ClNO2.C16H10FNO2.C16H11NO3.C16H11NO2/c1-21-15-9-8-12(11-16(15)22-2)10-14-18(20)23-17(19-14)13-6-4-3-5-7-13;2*17-13-8-6-11(7-9-13)10-14-16(19)20-15(18-14)12-4-2-1-3-5-12;18-13-8-6-11(7-9-13)10-14-16(19)20-15(17-14)12-4-2-1-3-5-12;18-16-14(11-12-7-3-1-4-8-12)17-15(19-16)13-9-5-2-6-10-13/h3-11H,1-2H3;2*1-10H;1-10,18H;1-11H
InChIKeyXKLBLTAOVUAOPR-UHFFFAOYSA-N
MW1374.83 g/mol
LogP15.67
Rot. Bonds12

About 4-benzylidene-2-phenyl-1,3-oxazol-5-one;4-[(4-chlorophenyl)methylidene]-2-phenyl-1,3-oxazol-5-one;4-[(3,4-dimethoxyphenyl)methylidene]-2-phenyl-1,3-oxazol-5-one;4-[(4-fluorophenyl)methylidene]-2-phenyl-1,3-oxazol-5-one;4-[(4-hydroxyphenyl)methylidene]-2-phenyl-1,3-oxazol-5-one

4-benzylidene-2-phenyl-1,3-oxazol-5-one;4-[(4-chlorophenyl)methylidene]-2-phenyl-1,3-oxazol-5-one;4-[(3,4-dimethoxyphenyl)methylidene]-2-phenyl-1,3-oxazol-5-one;4-[(4-fluorophenyl)methylidene]-2-phenyl-1,3-oxazol-5-one;4-[(4-hydroxyphenyl)methylidene]-2-phenyl-1,3-oxazol-5-one (PubChem CID 165095412) has the molecular formula C82H57ClFN5O13 and a molecular weight of 1374.83 g/mol. Its IUPAC name is 4-benzylidene-2-phenyl-1,3-oxazol-5-one;4-[(4-chlorophenyl)methylidene]-2-phenyl-1,3-oxazol-5-one;4-[(3,4-dimethoxyphenyl)methylidene]-2-phenyl-1,3-oxazol-5-one;4-[(4-fluorophenyl)methylidene]-2-phenyl-1,3-oxazol-5-one;4-[(4-hydroxyphenyl)methylidene]-2-phenyl-1,3-oxazol-5-one.

Molecular Properties

Compound Name4-benzylidene-2-phenyl-1,3-oxazol-5-one;4-[(4-chlorophenyl)methylidene]-2-phenyl-1,3-oxazol-5-one;4-[(3,4-dimethoxyphenyl)methylidene]-2-phenyl-1,3-oxazol-5-one;4-[(4-fluorophenyl)methylidene]-2-phenyl-1,3-oxazol-5-one;4-[(4-hydroxyphenyl)methylidene]-2-phenyl-1,3-oxazol-5-one
PubChem CID165095412
Molecular FormulaC82H57ClFN5O13
Molecular Weight1374.83 g/mol
Exact Mass1373.36
IUPAC Name4-benzylidene-2-phenyl-1,3-oxazol-5-one;4-[(4-chlorophenyl)methylidene]-2-phenyl-1,3-oxazol-5-one;4-[(3,4-dimethoxyphenyl)methylidene]-2-phenyl-1,3-oxazol-5-one;4-[(4-fluorophenyl)methylidene]-2-phenyl-1,3-oxazol-5-one;4-[(4-hydroxyphenyl)methylidene]-2-phenyl-1,3-oxazol-5-one
SMILESCOc1ccc(C=C2N=C(c3ccccc3)OC2=O)cc1OC.O=C1OC(c2ccccc2)=NC1=Cc1ccc(Cl)cc1.O=C1OC(c2ccccc2)=NC1=Cc1ccc(F)cc1.O=C1OC(c2ccccc2)=NC1=Cc1ccc(O)cc1.O=C1OC(c2ccccc2)=NC1=Cc1ccccc1
InChIInChI=1S/C18H15NO4.C16H10ClNO2.C16H10FNO2.C16H11NO3.C16H11NO2/c1-21-15-9-8-12(11-16(15)22-2)10-14-18(20)23-17(19-14)13-6-4-3-5-7-13;2*17-13-8-6-11(7-9-13)10-14-16(19)20-15(18-14)12-4-2-1-3-5-12;18-13-8-6-11(7-9-13)10-14-16(19)20-15(17-14)12-4-2-1-3-5-12;18-16-14(11-12-7-3-1-4-8-12)17-15(19-16)13-9-5-2-6-10-13/h3-11H,1-2H3;2*1-10H;1-10,18H;1-11H
InChIKeyXKLBLTAOVUAOPR-UHFFFAOYSA-N
XLogP15.67
TPSA231.99 Ų
H-Bond Donors1
H-Bond Acceptors18
Rotatable Bonds12
Heavy Atoms102
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001374.83
LogP ≤ 515.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 4-benzylidene-2-phenyl-1,3-oxazol-5-one;4-[(4-chlorophenyl)methylidene]-2-phenyl-1,3-oxazol-5-one;4-[(3,4-dimethoxyphenyl)methylidene]-2-phenyl-1,3-oxazol-5-one;4-[(4-fluorophenyl)methylidene]-2-phenyl-1,3-oxazol-5-one;4-[(4-hydroxyphenyl)methylidene]-2-phenyl-1,3-oxazol-5-one with MolForge

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Related Compounds

(4Z)-4-[(3,4-dimethoxyphenyl)methylidene]-2-(4-fluorophenyl)-1,3-oxazol-5-one
CID 806042
2-(4-chlorophenyl)-4-[(3,4-dimethoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 2826486
(4Z)-4-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-2-(4-fluorophenyl)-1,3-oxazol-5-one
CID 94863352
4-[(3,4-dimethoxyphenyl)methylidene]-2-(3-fluorophenyl)-1,3-oxazol-5-one
CID 3106048
(4E)-4-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-phenyl-1,3-oxazol-5-one
CID 6199787
(4Z)-4-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-2-(3-fluorophenyl)-1,3-oxazol-5-one
CID 17379357
(4Z)-4-[(4-ethoxy-3-methoxyphenyl)methylidene]-2-(4-fluorophenyl)-1,3-oxazol-5-one
CID 920418
[4-[(E)-[2-(4-fluorophenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]-2-methoxyphenyl] 2-methylpropanoate
CID 1004743
methyl 2-[4-[(Z)-[2-(4-fluorophenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]-2-methoxyphenoxy]acetate
CID 19669906
[5-[[2-(4-chlorophenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]-2-methoxyphenyl] 2-methylpropanoate
CID 1012578
[4-[[2-(4-fluorophenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]-2-methoxyphenyl] 2-methylbenzoate
CID 2933466
2-(5-chloro-2-methoxyphenyl)-4-[(3,4-dimethoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 4593940

Frequently Asked Questions

What is the IUPAC name of 4-benzylidene-2-phenyl-1,3-oxazol-5-one;4-[(4-chlorophenyl)methylidene]-2-phenyl-1,3-oxazol-5-one;4-[(3,4-dimethoxyphenyl)methylidene]-2-phenyl-1,3-oxazol-5-one;4-[(4-fluorophenyl)methylidene]-2-phenyl-1,3-oxazol-5-one;4-[(4-hydroxyphenyl)methylidene]-2-phenyl-1,3-oxazol-5-one?
The IUPAC name of 4-benzylidene-2-phenyl-1,3-oxazol-5-one;4-[(4-chlorophenyl)methylidene]-2-phenyl-1,3-oxazol-5-one;4-[(3,4-dimethoxyphenyl)methylidene]-2-phenyl-1,3-oxazol-5-one;4-[(4-fluorophenyl)methylidene]-2-phenyl-1,3-oxazol-5-one;4-[(4-hydroxyphenyl)methylidene]-2-phenyl-1,3-oxazol-5-one (CID 165095412) is 4-benzylidene-2-phenyl-1,3-oxazol-5-one;4-[(4-chlorophenyl)methylidene]-2-phenyl-1,3-oxazol-5-one;4-[(3,4-dimethoxyphenyl)methylidene]-2-phenyl-1,3-oxazol-5-one;4-[(4-fluorophenyl)methylidene]-2-phenyl-1,3-oxazol-5-one;4-[(4-hydroxyphenyl)methylidene]-2-phenyl-1,3-oxazol-5-one.
What is the SMILES notation for 4-benzylidene-2-phenyl-1,3-oxazol-5-one;4-[(4-chlorophenyl)methylidene]-2-phenyl-1,3-oxazol-5-one;4-[(3,4-dimethoxyphenyl)methylidene]-2-phenyl-1,3-oxazol-5-one;4-[(4-fluorophenyl)methylidene]-2-phenyl-1,3-oxazol-5-one;4-[(4-hydroxyphenyl)methylidene]-2-phenyl-1,3-oxazol-5-one?
The canonical SMILES for 4-benzylidene-2-phenyl-1,3-oxazol-5-one;4-[(4-chlorophenyl)methylidene]-2-phenyl-1,3-oxazol-5-one;4-[(3,4-dimethoxyphenyl)methylidene]-2-phenyl-1,3-oxazol-5-one;4-[(4-fluorophenyl)methylidene]-2-phenyl-1,3-oxazol-5-one;4-[(4-hydroxyphenyl)methylidene]-2-phenyl-1,3-oxazol-5-one is COc1ccc(C=C2N=C(c3ccccc3)OC2=O)cc1OC.O=C1OC(c2ccccc2)=NC1=Cc1ccc(Cl)cc1.O=C1OC(c2ccccc2)=NC1=Cc1ccc(F)cc1.O=C1OC(c2ccccc2)=NC1=Cc1ccc(O)cc1.O=C1OC(c2ccccc2)=NC1=Cc1ccccc1.
What is the InChIKey of 4-benzylidene-2-phenyl-1,3-oxazol-5-one;4-[(4-chlorophenyl)methylidene]-2-phenyl-1,3-oxazol-5-one;4-[(3,4-dimethoxyphenyl)methylidene]-2-phenyl-1,3-oxazol-5-one;4-[(4-fluorophenyl)methylidene]-2-phenyl-1,3-oxazol-5-one;4-[(4-hydroxyphenyl)methylidene]-2-phenyl-1,3-oxazol-5-one?
The InChIKey is XKLBLTAOVUAOPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO4.C16H10ClNO2.C16H10FNO2.C16H11NO3.C16H11NO2/c1-21-15-9-8-12(11-16(15)22-2)10-14-18(20)23-17(19-14)13-6-4-3-5-7-13;2*17-13-8-6-11(7-9-13)10-14-16(19)20-15(18-14)12-4-2-1-3-5-12;18-13-8-6-11(7-9-13)10-14-16(19)20-15(17-14)12-4-2-1-3-5-12;18-16-14(11-12-7-3-1-4-8-12)17-15(19-16)13-9-5-2-6-10-13/h3-11H,1-2H3;2*1-10H;1-10,18H;1-11H.
What are the key properties of 4-benzylidene-2-phenyl-1,3-oxazol-5-one;4-[(4-chlorophenyl)methylidene]-2-phenyl-1,3-oxazol-5-one;4-[(3,4-dimethoxyphenyl)methylidene]-2-phenyl-1,3-oxazol-5-one;4-[(4-fluorophenyl)methylidene]-2-phenyl-1,3-oxazol-5-one;4-[(4-hydroxyphenyl)methylidene]-2-phenyl-1,3-oxazol-5-one?
4-benzylidene-2-phenyl-1,3-oxazol-5-one;4-[(4-chlorophenyl)methylidene]-2-phenyl-1,3-oxazol-5-one;4-[(3,4-dimethoxyphenyl)methylidene]-2-phenyl-1,3-oxazol-5-one;4-[(4-fluorophenyl)methylidene]-2-phenyl-1,3-oxazol-5-one;4-[(4-hydroxyphenyl)methylidene]-2-phenyl-1,3-oxazol-5-one has a molecular weight of 1374.83 g/mol, XLogP of 15.67, 12 rotatable bonds, 1 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzylidene-2-phenyl-1,3-oxazol-5-one;4-[(4-chlorophenyl)methylidene]-2-phenyl-1,3-oxazol-5-one;4-[(3,4-dimethoxyphenyl)methylidene]-2-phenyl-1,3-oxazol-5-one;4-[(4-fluorophenyl)methylidene]-2-phenyl-1,3-oxazol-5-one;4-[(4-hydroxyphenyl)methylidene]-2-phenyl-1,3-oxazol-5-one is sourced from PubChem (CID 165095412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).