(2-phenyl-1,3-oxazol-4-yl)methyl 4-(1,3-dioxoisoindol-2-yl)benzoate

C25H16N2O5 — CID 16500587

IUPAC(2-phenyl-1,3-oxazol-4-yl)methyl 4-(1,3-dioxoisoindol-2-yl)benzoate
SMILESO=C(OCc1coc(-c2ccccc2)n1)c1ccc(N2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C25H16N2O5/c28-23-20-8-4-5-9-21(20)24(29)27(23)19-12-10-17(11-13-19)25(30)32-15-18-14-31-22(26-18)16-6-2-1-3-7-16/h1-14H,15H2
InChIKeyHBDHNCLKEACGJY-UHFFFAOYSA-N
MW424.41 g/mol
LogP4.50
Rot. Bonds5

About (2-phenyl-1,3-oxazol-4-yl)methyl 4-(1,3-dioxoisoindol-2-yl)benzoate

(2-phenyl-1,3-oxazol-4-yl)methyl 4-(1,3-dioxoisoindol-2-yl)benzoate (PubChem CID 16500587) has the molecular formula C25H16N2O5 and a molecular weight of 424.41 g/mol. Its IUPAC name is (2-phenyl-1,3-oxazol-4-yl)methyl 4-(1,3-dioxoisoindol-2-yl)benzoate.

Molecular Properties

Compound Name(2-phenyl-1,3-oxazol-4-yl)methyl 4-(1,3-dioxoisoindol-2-yl)benzoate
PubChem CID16500587
Molecular FormulaC25H16N2O5
Molecular Weight424.41 g/mol
Exact Mass424.11
IUPAC Name(2-phenyl-1,3-oxazol-4-yl)methyl 4-(1,3-dioxoisoindol-2-yl)benzoate
SMILESO=C(OCc1coc(-c2ccccc2)n1)c1ccc(N2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C25H16N2O5/c28-23-20-8-4-5-9-21(20)24(29)27(23)19-12-10-17(11-13-19)25(30)32-15-18-14-31-22(26-18)16-6-2-1-3-7-16/h1-14H,15H2
InChIKeyHBDHNCLKEACGJY-UHFFFAOYSA-N
XLogP4.50
TPSA89.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.41
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2-phenyl-1,3-oxazol-4-yl)methyl 4-nitrobenzoate
CID 18126093
(2-phenyl-1,3-oxazol-4-yl)methyl 6-methoxypyridine-3-carboxylate
CID 18099446
(2-phenyl-1,3-oxazol-4-yl)methyl 6-oxo-1-phenylpyridazine-3-carboxylate
CID 71897714
[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl 4-iodobenzoate
CID 32646400
(2-phenyl-1,3-oxazol-4-yl)methyl 4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoate
CID 16603141
[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl 4-(trifluoromethyl)benzoate
CID 32644596
(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl 4-(1,3-dioxoisoindol-2-yl)benzoate
CID 27304352
(2-phenyl-1,3-oxazol-4-yl)methyl 2-methylfuran-3-carboxylate
CID 18197445
(2-phenyl-1,3-oxazol-4-yl)methyl 3-oxo-4H-1,4-benzothiazine-6-carboxylate
CID 16505934
(2-phenyl-1,3-oxazol-4-yl)methyl 2-methylsulfanylbenzoate
CID 18085090
(2-benzamido-2-oxoethyl) 4-(1,3-dioxoisoindol-2-yl)benzoate
CID 42969272
(2-phenyl-1,3-oxazol-4-yl)methyl 3-methyl-1,2-oxazole-5-carboxylate
CID 18199699

Frequently Asked Questions

What is the IUPAC name of (2-phenyl-1,3-oxazol-4-yl)methyl 4-(1,3-dioxoisoindol-2-yl)benzoate?
The IUPAC name of (2-phenyl-1,3-oxazol-4-yl)methyl 4-(1,3-dioxoisoindol-2-yl)benzoate (CID 16500587) is (2-phenyl-1,3-oxazol-4-yl)methyl 4-(1,3-dioxoisoindol-2-yl)benzoate.
What is the SMILES notation for (2-phenyl-1,3-oxazol-4-yl)methyl 4-(1,3-dioxoisoindol-2-yl)benzoate?
The canonical SMILES for (2-phenyl-1,3-oxazol-4-yl)methyl 4-(1,3-dioxoisoindol-2-yl)benzoate is O=C(OCc1coc(-c2ccccc2)n1)c1ccc(N2C(=O)c3ccccc3C2=O)cc1.
What is the InChIKey of (2-phenyl-1,3-oxazol-4-yl)methyl 4-(1,3-dioxoisoindol-2-yl)benzoate?
The InChIKey is HBDHNCLKEACGJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16N2O5/c28-23-20-8-4-5-9-21(20)24(29)27(23)19-12-10-17(11-13-19)25(30)32-15-18-14-31-22(26-18)16-6-2-1-3-7-16/h1-14H,15H2.
What are the key properties of (2-phenyl-1,3-oxazol-4-yl)methyl 4-(1,3-dioxoisoindol-2-yl)benzoate?
(2-phenyl-1,3-oxazol-4-yl)methyl 4-(1,3-dioxoisoindol-2-yl)benzoate has a molecular weight of 424.41 g/mol, XLogP of 4.50, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenyl-1,3-oxazol-4-yl)methyl 4-(1,3-dioxoisoindol-2-yl)benzoate is sourced from PubChem (CID 16500587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).