(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(1,3-dioxoisoindol-2-yl)propanoate

C20H15N3O5 — CID 2999691

IUPAC(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(1,3-dioxoisoindol-2-yl)propanoate
SMILESCC(C(=O)OCc1nnc(-c2ccccc2)o1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C20H15N3O5/c1-12(23-18(24)14-9-5-6-10-15(14)19(23)25)20(26)27-11-16-21-22-17(28-16)13-7-3-2-4-8-13/h2-10,12H,11H2,1H3
InChIKeyODGYKELXYGLKHL-UHFFFAOYSA-N
MW377.36 g/mol
LogP2.46
Rot. Bonds5

About (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(1,3-dioxoisoindol-2-yl)propanoate

(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(1,3-dioxoisoindol-2-yl)propanoate (PubChem CID 2999691) has the molecular formula C20H15N3O5 and a molecular weight of 377.36 g/mol. Its IUPAC name is (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(1,3-dioxoisoindol-2-yl)propanoate.

Molecular Properties

Compound Name(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(1,3-dioxoisoindol-2-yl)propanoate
PubChem CID2999691
Molecular FormulaC20H15N3O5
Molecular Weight377.36 g/mol
Exact Mass377.10
IUPAC Name(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(1,3-dioxoisoindol-2-yl)propanoate
SMILESCC(C(=O)OCc1nnc(-c2ccccc2)o1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C20H15N3O5/c1-12(23-18(24)14-9-5-6-10-15(14)19(23)25)20(26)27-11-16-21-22-17(28-16)13-7-3-2-4-8-13/h2-10,12H,11H2,1H3
InChIKeyODGYKELXYGLKHL-UHFFFAOYSA-N
XLogP2.46
TPSA102.60 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.36
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(1,3-dioxoisoindol-2-yl)propanoate?
The IUPAC name of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(1,3-dioxoisoindol-2-yl)propanoate (CID 2999691) is (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(1,3-dioxoisoindol-2-yl)propanoate.
What is the SMILES notation for (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(1,3-dioxoisoindol-2-yl)propanoate?
The canonical SMILES for (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(1,3-dioxoisoindol-2-yl)propanoate is CC(C(=O)OCc1nnc(-c2ccccc2)o1)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(1,3-dioxoisoindol-2-yl)propanoate?
The InChIKey is ODGYKELXYGLKHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O5/c1-12(23-18(24)14-9-5-6-10-15(14)19(23)25)20(26)27-11-16-21-22-17(28-16)13-7-3-2-4-8-13/h2-10,12H,11H2,1H3.
What are the key properties of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(1,3-dioxoisoindol-2-yl)propanoate?
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(1,3-dioxoisoindol-2-yl)propanoate has a molecular weight of 377.36 g/mol, XLogP of 2.46, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(1,3-dioxoisoindol-2-yl)propanoate is sourced from PubChem (CID 2999691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).