(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-pyrrol-1-ylbenzoate

C20H15N3O3 — CID 47009513

IUPAC(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-pyrrol-1-ylbenzoate
SMILESO=C(OCc1nnc(-c2ccccc2)o1)c1cccc(-n2cccc2)c1
InChIInChI=1S/C20H15N3O3/c24-20(16-9-6-10-17(13-16)23-11-4-5-12-23)25-14-18-21-22-19(26-18)15-7-2-1-3-8-15/h1-13H,14H2
InChIKeyPMQHOCCVTKUTFH-UHFFFAOYSA-N
MW345.36 g/mol
LogP3.88
Rot. Bonds5

About (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-pyrrol-1-ylbenzoate

(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-pyrrol-1-ylbenzoate (PubChem CID 47009513) has the molecular formula C20H15N3O3 and a molecular weight of 345.36 g/mol. Its IUPAC name is (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-pyrrol-1-ylbenzoate.

Molecular Properties

Compound Name(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-pyrrol-1-ylbenzoate
PubChem CID47009513
Molecular FormulaC20H15N3O3
Molecular Weight345.36 g/mol
Exact Mass345.11
IUPAC Name(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-pyrrol-1-ylbenzoate
SMILESO=C(OCc1nnc(-c2ccccc2)o1)c1cccc(-n2cccc2)c1
InChIInChI=1S/C20H15N3O3/c24-20(16-9-6-10-17(13-16)23-11-4-5-12-23)25-14-18-21-22-19(26-18)15-7-2-1-3-8-15/h1-13H,14H2
InChIKeyPMQHOCCVTKUTFH-UHFFFAOYSA-N
XLogP3.88
TPSA70.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-(2,5-dioxopyrrolidin-1-yl)benzoate
CID 7204486
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-bromobenzoate
CID 2642860
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-(carbamoylamino)benzoate
CID 26178971
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-[methyl(propan-2-yl)sulfamoyl]benzoate
CID 7753629
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-methyl-1,3-dioxoisoindole-5-carboxylate
CID 31858135
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 4-(2,5-dioxopyrrolidin-1-yl)benzoate
CID 7204116
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate
CID 8520954
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 1-methylpyrazole-4-carboxylate
CID 27926807
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-bromo-4-methoxybenzoate
CID 8875963
amino 3-[5-(4-pyrrol-1-ylphenyl)-1,3,4-oxadiazol-2-yl]benzoate
CID 143556886
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate
CID 18099198
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2,4,6-trimethylbenzoate
CID 7472802

Frequently Asked Questions

What is the IUPAC name of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-pyrrol-1-ylbenzoate?
The IUPAC name of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-pyrrol-1-ylbenzoate (CID 47009513) is (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-pyrrol-1-ylbenzoate.
What is the SMILES notation for (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-pyrrol-1-ylbenzoate?
The canonical SMILES for (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-pyrrol-1-ylbenzoate is O=C(OCc1nnc(-c2ccccc2)o1)c1cccc(-n2cccc2)c1.
What is the InChIKey of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-pyrrol-1-ylbenzoate?
The InChIKey is PMQHOCCVTKUTFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O3/c24-20(16-9-6-10-17(13-16)23-11-4-5-12-23)25-14-18-21-22-19(26-18)15-7-2-1-3-8-15/h1-13H,14H2.
What are the key properties of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-pyrrol-1-ylbenzoate?
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-pyrrol-1-ylbenzoate has a molecular weight of 345.36 g/mol, XLogP of 3.88, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-pyrrol-1-ylbenzoate is sourced from PubChem (CID 47009513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).