5-(4-fluorophenyl)-3-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]-1,3,4-oxadiazol-2-one

C19H15FN4O3 — CID 17485990

IUPAC5-(4-fluorophenyl)-3-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]-1,3,4-oxadiazol-2-one
SMILESO=C(Cn1nc(-c2ccc(F)cc2)oc1=O)N1CCC(c2ccccc2)=N1
InChIInChI=1S/C19H15FN4O3/c20-15-8-6-14(7-9-15)18-22-24(19(26)27-18)12-17(25)23-11-10-16(21-23)13-4-2-1-3-5-13/h1-9H,10-12H2
InChIKeyDJZZRWQKVOODFT-UHFFFAOYSA-N
MW366.35 g/mol
LogP2.28
Rot. Bonds4

About 5-(4-fluorophenyl)-3-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]-1,3,4-oxadiazol-2-one

5-(4-fluorophenyl)-3-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]-1,3,4-oxadiazol-2-one (PubChem CID 17485990) has the molecular formula C19H15FN4O3 and a molecular weight of 366.35 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-3-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name5-(4-fluorophenyl)-3-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]-1,3,4-oxadiazol-2-one
PubChem CID17485990
Molecular FormulaC19H15FN4O3
Molecular Weight366.35 g/mol
Exact Mass366.11
IUPAC Name5-(4-fluorophenyl)-3-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]-1,3,4-oxadiazol-2-one
SMILESO=C(Cn1nc(-c2ccc(F)cc2)oc1=O)N1CCC(c2ccccc2)=N1
InChIInChI=1S/C19H15FN4O3/c20-15-8-6-14(7-9-15)18-22-24(19(26)27-18)12-17(25)23-11-10-16(21-23)13-4-2-1-3-5-13/h1-9H,10-12H2
InChIKeyDJZZRWQKVOODFT-UHFFFAOYSA-N
XLogP2.28
TPSA80.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.35
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-(4-fluorophenyl)-3-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]-1,3,4-oxadiazol-2-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-3-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]-1,3,4-oxadiazol-2-one?
The IUPAC name of 5-(4-fluorophenyl)-3-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]-1,3,4-oxadiazol-2-one (CID 17485990) is 5-(4-fluorophenyl)-3-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 5-(4-fluorophenyl)-3-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]-1,3,4-oxadiazol-2-one?
The canonical SMILES for 5-(4-fluorophenyl)-3-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]-1,3,4-oxadiazol-2-one is O=C(Cn1nc(-c2ccc(F)cc2)oc1=O)N1CCC(c2ccccc2)=N1.
What is the InChIKey of 5-(4-fluorophenyl)-3-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]-1,3,4-oxadiazol-2-one?
The InChIKey is DJZZRWQKVOODFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN4O3/c20-15-8-6-14(7-9-15)18-22-24(19(26)27-18)12-17(25)23-11-10-16(21-23)13-4-2-1-3-5-13/h1-9H,10-12H2.
What are the key properties of 5-(4-fluorophenyl)-3-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]-1,3,4-oxadiazol-2-one?
5-(4-fluorophenyl)-3-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]-1,3,4-oxadiazol-2-one has a molecular weight of 366.35 g/mol, XLogP of 2.28, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-3-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 17485990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).