[2-phenyl-4-[(3-phenyl-1,2-oxazol-5-yl)methoxy]quinazolin-5-yl] acetate

C26H19N3O4 — CID 141435849

IUPAC[2-phenyl-4-[(3-phenyl-1,2-oxazol-5-yl)methoxy]quinazolin-5-yl] acetate
SMILESCC(=O)Oc1cccc2nc(-c3ccccc3)nc(OCc3cc(-c4ccccc4)no3)c12
InChIInChI=1S/C26H19N3O4/c1-17(30)32-23-14-8-13-21-24(23)26(28-25(27-21)19-11-6-3-7-12-19)31-16-20-15-22(29-33-20)18-9-4-2-5-10-18/h2-15H,16H2,1H3
InChIKeyLQYSZAHUDGYMHS-UHFFFAOYSA-N
MW437.46 g/mol
LogP5.46
Rot. Bonds6

About [2-phenyl-4-[(3-phenyl-1,2-oxazol-5-yl)methoxy]quinazolin-5-yl] acetate

[2-phenyl-4-[(3-phenyl-1,2-oxazol-5-yl)methoxy]quinazolin-5-yl] acetate (PubChem CID 141435849) has the molecular formula C26H19N3O4 and a molecular weight of 437.46 g/mol. Its IUPAC name is [2-phenyl-4-[(3-phenyl-1,2-oxazol-5-yl)methoxy]quinazolin-5-yl] acetate.

Molecular Properties

Compound Name[2-phenyl-4-[(3-phenyl-1,2-oxazol-5-yl)methoxy]quinazolin-5-yl] acetate
PubChem CID141435849
Molecular FormulaC26H19N3O4
Molecular Weight437.46 g/mol
Exact Mass437.14
IUPAC Name[2-phenyl-4-[(3-phenyl-1,2-oxazol-5-yl)methoxy]quinazolin-5-yl] acetate
SMILESCC(=O)Oc1cccc2nc(-c3ccccc3)nc(OCc3cc(-c4ccccc4)no3)c12
InChIInChI=1S/C26H19N3O4/c1-17(30)32-23-14-8-13-21-24(23)26(28-25(27-21)19-11-6-3-7-12-19)31-16-20-15-22(29-33-20)18-9-4-2-5-10-18/h2-15H,16H2,1H3
InChIKeyLQYSZAHUDGYMHS-UHFFFAOYSA-N
XLogP5.46
TPSA87.34 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.46
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-(4-fluorophenyl)-5-[(2-phenylquinazolin-4-yl)oxymethyl]-1,2-oxazole
CID 71761123
3-(4-chlorophenyl)-5-[(5,6-dimethyl-2-phenylpyrimidin-4-yl)oxymethyl]-1,2-oxazole
CID 123676741
5-[(2-iodophenoxy)methyl]-3-phenyl-1,2-oxazole
CID 60522936
2-[(3-phenyl-1,2-oxazol-5-yl)methoxy]aniline
CID 61027686
5-(phenoxymethyl)-3-phenyl-1,2-oxazole
CID 1480808
5-[(2-chloro-4-fluorophenoxy)methyl]-3-phenyl-1,2-oxazole
CID 134010105
(3-phenyl-1,2-oxazol-5-yl)methyl 3,5-dimethoxy-4-methylbenzoate
CID 30036377
methyl 4-[5-[[2-(4-methoxyphenyl)phenoxy]methyl]-1,2-oxazol-3-yl]benzoate
CID 134847157
[3,5-bis[(3-phenyl-1,2-oxazol-5-yl)methoxy]phenyl]methanol
CID 2748900
5-[(4-chloro-2-methylphenoxy)methyl]-3-phenyl-1,2-oxazole
CID 1484373
2-methyl-2-[4-[[3-(4-phenylphenyl)-1,2-oxazol-5-yl]methoxy]phenoxy]propanoic acid
CID 11502852
3,4-dimethyl-7-[(3-phenyl-1,2-oxazol-5-yl)methoxy]chromen-2-one
CID 15066975

Frequently Asked Questions

What is the IUPAC name of [2-phenyl-4-[(3-phenyl-1,2-oxazol-5-yl)methoxy]quinazolin-5-yl] acetate?
The IUPAC name of [2-phenyl-4-[(3-phenyl-1,2-oxazol-5-yl)methoxy]quinazolin-5-yl] acetate (CID 141435849) is [2-phenyl-4-[(3-phenyl-1,2-oxazol-5-yl)methoxy]quinazolin-5-yl] acetate.
What is the SMILES notation for [2-phenyl-4-[(3-phenyl-1,2-oxazol-5-yl)methoxy]quinazolin-5-yl] acetate?
The canonical SMILES for [2-phenyl-4-[(3-phenyl-1,2-oxazol-5-yl)methoxy]quinazolin-5-yl] acetate is CC(=O)Oc1cccc2nc(-c3ccccc3)nc(OCc3cc(-c4ccccc4)no3)c12.
What is the InChIKey of [2-phenyl-4-[(3-phenyl-1,2-oxazol-5-yl)methoxy]quinazolin-5-yl] acetate?
The InChIKey is LQYSZAHUDGYMHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19N3O4/c1-17(30)32-23-14-8-13-21-24(23)26(28-25(27-21)19-11-6-3-7-12-19)31-16-20-15-22(29-33-20)18-9-4-2-5-10-18/h2-15H,16H2,1H3.
What are the key properties of [2-phenyl-4-[(3-phenyl-1,2-oxazol-5-yl)methoxy]quinazolin-5-yl] acetate?
[2-phenyl-4-[(3-phenyl-1,2-oxazol-5-yl)methoxy]quinazolin-5-yl] acetate has a molecular weight of 437.46 g/mol, XLogP of 5.46, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-phenyl-4-[(3-phenyl-1,2-oxazol-5-yl)methoxy]quinazolin-5-yl] acetate is sourced from PubChem (CID 141435849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).