3-[(5-hydroxy-2-phenyl-1,3-oxazol-4-yl)methylidene]-7,8-dimethylquinolin-2-one

C21H16N2O3 — CID 136913689

IUPAC3-[(5-hydroxy-2-phenyl-1,3-oxazol-4-yl)methylidene]-7,8-dimethylquinolin-2-one
SMILESCc1ccc2c(c1C)=NC(=O)C(=Cc1nc(-c3ccccc3)oc1O)C=2
InChIInChI=1S/C21H16N2O3/c1-12-8-9-15-10-16(19(24)23-18(15)13(12)2)11-17-21(25)26-20(22-17)14-6-4-3-5-7-14/h3-11,25H,1-2H3
InChIKeyRAHMWUKEQIMBOT-UHFFFAOYSA-N
MW344.37 g/mol
LogP2.69
Rot. Bonds2

About 3-[(5-hydroxy-2-phenyl-1,3-oxazol-4-yl)methylidene]-7,8-dimethylquinolin-2-one

3-[(5-hydroxy-2-phenyl-1,3-oxazol-4-yl)methylidene]-7,8-dimethylquinolin-2-one (PubChem CID 136913689) has the molecular formula C21H16N2O3 and a molecular weight of 344.37 g/mol. Its IUPAC name is 3-[(5-hydroxy-2-phenyl-1,3-oxazol-4-yl)methylidene]-7,8-dimethylquinolin-2-one.

Molecular Properties

Compound Name3-[(5-hydroxy-2-phenyl-1,3-oxazol-4-yl)methylidene]-7,8-dimethylquinolin-2-one
PubChem CID136913689
Molecular FormulaC21H16N2O3
Molecular Weight344.37 g/mol
Exact Mass344.12
IUPAC Name3-[(5-hydroxy-2-phenyl-1,3-oxazol-4-yl)methylidene]-7,8-dimethylquinolin-2-one
SMILESCc1ccc2c(c1C)=NC(=O)C(=Cc1nc(-c3ccccc3)oc1O)C=2
InChIInChI=1S/C21H16N2O3/c1-12-8-9-15-10-16(19(24)23-18(15)13(12)2)11-17-21(25)26-20(22-17)14-6-4-3-5-7-14/h3-11,25H,1-2H3
InChIKeyRAHMWUKEQIMBOT-UHFFFAOYSA-N
XLogP2.69
TPSA75.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(4-methylphenyl)iminomethyl]-2-phenyl-1,3-oxazol-5-ol
CID 571303
1-[[5-hydroxy-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylidene]naphthalen-2-one
CID 814567
ethyl (2E)-2-[(5-hydroxy-2-phenyl-1,3-oxazol-4-yl)methylidene]furo[3,2-b]pyrrole-5-carboxylate
CID 135767061
4-[(3-methylphenyl)iminomethyl]-2-phenyl-1,3-oxazol-5-ol
CID 571302
4-[(3-methyl-2-pyridinyl)iminomethyl]-2-phenyl-1,3-oxazol-5-ol
CID 3983604
4-[(E)-(4,6-dimethylpyrimidin-2-yl)iminomethyl]-2-phenyl-1,3-oxazol-5-ol
CID 135420862
N-[4-[(5-hydroxy-2-phenyl-1,3-oxazol-4-yl)methylideneamino]phenyl]acetamide
CID 3957636
2-(4-fluorophenyl)-4-[(Z)-indol-3-ylidenemethyl]-1,3-oxazol-5-ol
CID 135683156
4-[(2-chlorophenyl)iminomethyl]-2-(4-methylphenyl)-1,3-oxazol-5-ol
CID 4247751
2-phenyl-4-[(4-sulfanylphenyl)iminomethyl]-1,3-oxazol-5-ol
CID 137235106
(1Z)-1-[[5-hydroxy-2-(2-methylphenyl)-1,3-oxazol-4-yl]methylidene]naphthalen-2-one
CID 135481408
2-(3-chlorophenyl)-4-[(2-methylindol-3-ylidene)methyl]-1,3-oxazol-5-ol
CID 4574879

Frequently Asked Questions

What is the IUPAC name of 3-[(5-hydroxy-2-phenyl-1,3-oxazol-4-yl)methylidene]-7,8-dimethylquinolin-2-one?
The IUPAC name of 3-[(5-hydroxy-2-phenyl-1,3-oxazol-4-yl)methylidene]-7,8-dimethylquinolin-2-one (CID 136913689) is 3-[(5-hydroxy-2-phenyl-1,3-oxazol-4-yl)methylidene]-7,8-dimethylquinolin-2-one.
What is the SMILES notation for 3-[(5-hydroxy-2-phenyl-1,3-oxazol-4-yl)methylidene]-7,8-dimethylquinolin-2-one?
The canonical SMILES for 3-[(5-hydroxy-2-phenyl-1,3-oxazol-4-yl)methylidene]-7,8-dimethylquinolin-2-one is Cc1ccc2c(c1C)=NC(=O)C(=Cc1nc(-c3ccccc3)oc1O)C=2.
What is the InChIKey of 3-[(5-hydroxy-2-phenyl-1,3-oxazol-4-yl)methylidene]-7,8-dimethylquinolin-2-one?
The InChIKey is RAHMWUKEQIMBOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O3/c1-12-8-9-15-10-16(19(24)23-18(15)13(12)2)11-17-21(25)26-20(22-17)14-6-4-3-5-7-14/h3-11,25H,1-2H3.
What are the key properties of 3-[(5-hydroxy-2-phenyl-1,3-oxazol-4-yl)methylidene]-7,8-dimethylquinolin-2-one?
3-[(5-hydroxy-2-phenyl-1,3-oxazol-4-yl)methylidene]-7,8-dimethylquinolin-2-one has a molecular weight of 344.37 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-hydroxy-2-phenyl-1,3-oxazol-4-yl)methylidene]-7,8-dimethylquinolin-2-one is sourced from PubChem (CID 136913689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).