(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 1,3-diphenylpyrazole-4-carboxylate

C25H18N4O3 — CID 2108242

IUPAC(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 1,3-diphenylpyrazole-4-carboxylate
SMILESO=C(OCc1nnc(-c2ccccc2)o1)c1cn(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C25H18N4O3/c30-25(31-17-22-26-27-24(32-22)19-12-6-2-7-13-19)21-16-29(20-14-8-3-9-15-20)28-23(21)18-10-4-1-5-11-18/h1-16H,17H2
InChIKeyWIHADWRSIOVNMX-UHFFFAOYSA-N
MW422.44 g/mol
LogP4.95
Rot. Bonds6

About (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 1,3-diphenylpyrazole-4-carboxylate

(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 1,3-diphenylpyrazole-4-carboxylate (PubChem CID 2108242) has the molecular formula C25H18N4O3 and a molecular weight of 422.44 g/mol. Its IUPAC name is (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 1,3-diphenylpyrazole-4-carboxylate.

Molecular Properties

Compound Name(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 1,3-diphenylpyrazole-4-carboxylate
PubChem CID2108242
Molecular FormulaC25H18N4O3
Molecular Weight422.44 g/mol
Exact Mass422.14
IUPAC Name(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 1,3-diphenylpyrazole-4-carboxylate
SMILESO=C(OCc1nnc(-c2ccccc2)o1)c1cn(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C25H18N4O3/c30-25(31-17-22-26-27-24(32-22)19-12-6-2-7-13-19)21-16-29(20-14-8-3-9-15-20)28-23(21)18-10-4-1-5-11-18/h1-16H,17H2
InChIKeyWIHADWRSIOVNMX-UHFFFAOYSA-N
XLogP4.95
TPSA83.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.44
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 1,3-diphenylpyrazole-4-carboxylate 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

Ethyl 1,3-diphenyl-1H-pyrazole-4-carboxylate
CID 882876
benzyl 1-phenyl-3-(4-pyridinyl)-1H-pyrazole-4-carboxylate
CID 1288496
[5-(4-Chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 1-benzyl-5-chloro-3-methylpyrazole-4-carboxylate
CID 2114980
(5-Phenyl-1,3,4-oxadiazol-2-yl)methyl 4-(3,5-dimethylpyrazol-1-yl)benzoate
CID 2116736
3-{5-[methoxy(phenyl)methyl]-1,3,4-oxadiazol-2-yl}-N-methyl-N-[3-(1H-pyrazol-1-yl)benzyl]propanamide
CID 16191179
2-[3-(4-Nitrophenyl)-1-phenylpyrazol-4-yl]-5-phenyl-1,3,4-oxadiazole
CID 46934258
2-(1,3-Diphenyl-1H-pyrazol-4-yl)-5-phenyl-1,3,4-oxadiazole
CID 46934113
(5-Phenyl-1,3,4-oxadiazol-2-yl)methyl 1-benzyl-5-chloro-3-methylpyrazole-4-carboxylate
CID 2092555
(5-Phenyl-1,3,4-oxadiazol-2-yl)methyl 2,5-dimethyl-1-phenylpyrrole-3-carboxylate
CID 2106152
2-[3-(4-Chlorophenyl)-1-phenylpyrazol-4-yl]-5-phenyl-1,3,4-oxadiazole
CID 46934114
2-[3-(4-Fluorophenyl)-1-phenylpyrazol-4-yl]-5-phenyl-1,3,4-oxadiazole
CID 46934115
Ethyl 4-(4-cyano-1,5-diphenylpyrazole-3-carbonyl)-1-phenylpyrazole-3-carboxylate
CID 50905150

Frequently Asked Questions

What is the IUPAC name of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 1,3-diphenylpyrazole-4-carboxylate?
The IUPAC name of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 1,3-diphenylpyrazole-4-carboxylate (CID 2108242) is (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 1,3-diphenylpyrazole-4-carboxylate.
What is the SMILES notation for (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 1,3-diphenylpyrazole-4-carboxylate?
The canonical SMILES for (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 1,3-diphenylpyrazole-4-carboxylate is O=C(OCc1nnc(-c2ccccc2)o1)c1cn(-c2ccccc2)nc1-c1ccccc1.
What is the InChIKey of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 1,3-diphenylpyrazole-4-carboxylate?
The InChIKey is WIHADWRSIOVNMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18N4O3/c30-25(31-17-22-26-27-24(32-22)19-12-6-2-7-13-19)21-16-29(20-14-8-3-9-15-20)28-23(21)18-10-4-1-5-11-18/h1-16H,17H2.
What are the key properties of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 1,3-diphenylpyrazole-4-carboxylate?
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 1,3-diphenylpyrazole-4-carboxylate has a molecular weight of 422.44 g/mol, XLogP of 4.95, 6 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 1,3-diphenylpyrazole-4-carboxylate is sourced from PubChem (CID 2108242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).