(4E)-4-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-phenyl-1,3-oxazol-5-one

C17H13NO4 — CID 6199787

IUPAC(4E)-4-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-phenyl-1,3-oxazol-5-one
SMILESCOc1cc(/C=C2/N=C(c3ccccc3)OC2=O)ccc1O
InChIInChI=1S/C17H13NO4/c1-21-15-10-11(7-8-14(15)19)9-13-17(20)22-16(18-13)12-5-3-2-4-6-12/h2-10,19H,1H3/b13-9+
InChIKeyQFFUNXWMPNHGMC-UKTHLTGXSA-N
MW295.29 g/mol
LogP2.75
Rot. Bonds3

About (4E)-4-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-phenyl-1,3-oxazol-5-one

(4E)-4-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-phenyl-1,3-oxazol-5-one (PubChem CID 6199787) has the molecular formula C17H13NO4 and a molecular weight of 295.29 g/mol. Its IUPAC name is (4E)-4-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-phenyl-1,3-oxazol-5-one.

Molecular Properties

Compound Name(4E)-4-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-phenyl-1,3-oxazol-5-one
PubChem CID6199787
Molecular FormulaC17H13NO4
Molecular Weight295.29 g/mol
Exact Mass295.08
IUPAC Name(4E)-4-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-phenyl-1,3-oxazol-5-one
SMILESCOc1cc(/C=C2/N=C(c3ccccc3)OC2=O)ccc1O
InChIInChI=1S/C17H13NO4/c1-21-15-10-11(7-8-14(15)19)9-13-17(20)22-16(18-13)12-5-3-2-4-6-12/h2-10,19H,1H3/b13-9+
InChIKeyQFFUNXWMPNHGMC-UKTHLTGXSA-N
XLogP2.75
TPSA68.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.29
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2,6-dimethoxy-4-[(5-oxo-2-phenyl-1,3-oxazol-4-ylidene)methyl]phenyl]acetic acid
CID 91256211
(4E)-4-[[3-methoxy-4-[(1S)-1-phenylethoxy]phenyl]methylidene]-2-phenyl-1,3-oxazol-5-one
CID 2283373
(4E)-4-[(4-methoxy-3-nitrophenyl)methylidene]-2-phenyl-1,3-oxazol-5-one
CID 5410756
(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
4-[[3-methoxy-4-[2-(2-methylphenoxy)ethoxy]phenyl]methylidene]-2-phenyl-1,3-oxazol-5-one
CID 2899712
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
[2-methoxy-4-[(Z)-[2-(4-methylphenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]phenyl] benzoate
CID 19662083
2-[2-methoxy-4-[(Z)-(2-oxo-5-phenylfuran-3-ylidene)methyl]phenyl]acetic acid;2-[2-methoxy-4-[(Z)-(5-oxo-2-phenyl-1,3-oxazol-4-ylidene)methyl]phenyl]acetic acid
CID 158767727
4-[(3,4-dimethoxyphenyl)methylidene]-2-(3-fluorophenyl)-1,3-oxazol-5-one
CID 3106048
(4E)-2-phenyl-4-[(4-phenylphenyl)methylidene]-1,3-oxazol-5-one
CID 690059
(4Z)-2-(4-methoxyphenyl)-4-(naphthalen-2-ylmethylidene)-1,3-oxazol-5-one
CID 9312649

Frequently Asked Questions

What is the IUPAC name of (4E)-4-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-phenyl-1,3-oxazol-5-one?
The IUPAC name of (4E)-4-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-phenyl-1,3-oxazol-5-one (CID 6199787) is (4E)-4-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-phenyl-1,3-oxazol-5-one.
What is the SMILES notation for (4E)-4-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-phenyl-1,3-oxazol-5-one?
The canonical SMILES for (4E)-4-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-phenyl-1,3-oxazol-5-one is COc1cc(/C=C2/N=C(c3ccccc3)OC2=O)ccc1O.
What is the InChIKey of (4E)-4-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-phenyl-1,3-oxazol-5-one?
The InChIKey is QFFUNXWMPNHGMC-UKTHLTGXSA-N. The full InChI is InChI=1S/C17H13NO4/c1-21-15-10-11(7-8-14(15)19)9-13-17(20)22-16(18-13)12-5-3-2-4-6-12/h2-10,19H,1H3/b13-9+.
What are the key properties of (4E)-4-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-phenyl-1,3-oxazol-5-one?
(4E)-4-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-phenyl-1,3-oxazol-5-one has a molecular weight of 295.29 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-phenyl-1,3-oxazol-5-one is sourced from PubChem (CID 6199787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).