1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl 4-pyrazol-1-ylbenzoate

C20H16N4O3 — CID 18197100

IUPAC1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl 4-pyrazol-1-ylbenzoate
SMILESCC(OC(=O)c1ccc(-n2cccn2)cc1)c1nnc(-c2ccccc2)o1
InChIInChI=1S/C20H16N4O3/c1-14(18-22-23-19(27-18)15-6-3-2-4-7-15)26-20(25)16-8-10-17(11-9-16)24-13-5-12-21-24/h2-14H,1H3
InChIKeyCEUYZMQZIFUQDC-UHFFFAOYSA-N
MW360.37 g/mol
LogP3.84
Rot. Bonds5

About 1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl 4-pyrazol-1-ylbenzoate

1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl 4-pyrazol-1-ylbenzoate (PubChem CID 18197100) has the molecular formula C20H16N4O3 and a molecular weight of 360.37 g/mol. Its IUPAC name is 1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl 4-pyrazol-1-ylbenzoate.

Molecular Properties

Compound Name1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl 4-pyrazol-1-ylbenzoate
PubChem CID18197100
Molecular FormulaC20H16N4O3
Molecular Weight360.37 g/mol
Exact Mass360.12
IUPAC Name1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl 4-pyrazol-1-ylbenzoate
SMILESCC(OC(=O)c1ccc(-n2cccn2)cc1)c1nnc(-c2ccccc2)o1
InChIInChI=1S/C20H16N4O3/c1-14(18-22-23-19(27-18)15-6-3-2-4-7-15)26-20(25)16-8-10-17(11-9-16)24-13-5-12-21-24/h2-14H,1H3
InChIKeyCEUYZMQZIFUQDC-UHFFFAOYSA-N
XLogP3.84
TPSA83.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl 4-pyrazol-1-ylbenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(1R)-1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl] 4-pyrazol-1-ylbenzoate
CID 8601585
[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 4-(methoxymethyl)benzoate
CID 7627264
[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2-methyl-1,3-dioxoisoindole-5-carboxylate
CID 31012513
[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 3,5-dimethoxybenzoate
CID 8872478
[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] pyridine-2-carboxylate
CID 8860436
1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl 4-(3,5-dimethylpyrazol-1-yl)benzoate
CID 55390571
1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl 3-methoxybenzoate
CID 18196876
[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 3,4,5-trimethoxybenzoate
CID 8870596
[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2-chlorobenzoate
CID 7603572
1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl 2-chlorobenzoate
CID 18196843
[(1S)-1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl] 4-propan-2-ylbenzoate
CID 9417146
[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 3-(dimethylamino)benzoate
CID 7593516

Frequently Asked Questions

What is the IUPAC name of 1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl 4-pyrazol-1-ylbenzoate?
The IUPAC name of 1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl 4-pyrazol-1-ylbenzoate (CID 18197100) is 1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl 4-pyrazol-1-ylbenzoate.
What is the SMILES notation for 1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl 4-pyrazol-1-ylbenzoate?
The canonical SMILES for 1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl 4-pyrazol-1-ylbenzoate is CC(OC(=O)c1ccc(-n2cccn2)cc1)c1nnc(-c2ccccc2)o1.
What is the InChIKey of 1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl 4-pyrazol-1-ylbenzoate?
The InChIKey is CEUYZMQZIFUQDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O3/c1-14(18-22-23-19(27-18)15-6-3-2-4-7-15)26-20(25)16-8-10-17(11-9-16)24-13-5-12-21-24/h2-14H,1H3.
What are the key properties of 1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl 4-pyrazol-1-ylbenzoate?
1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl 4-pyrazol-1-ylbenzoate has a molecular weight of 360.37 g/mol, XLogP of 3.84, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl 4-pyrazol-1-ylbenzoate is sourced from PubChem (CID 18197100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).