1-[1-(2-fluorophenyl)indazol-4-yl]-3-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]imidazolidin-2-one

C21H19FN6O2 — CID 118937862

IUPAC1-[1-(2-fluorophenyl)indazol-4-yl]-3-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]imidazolidin-2-one
SMILESCc1noc(C(C)N2CCN(c3cccc4c3cnn4-c3ccccc3F)C2=O)n1
InChIInChI=1S/C21H19FN6O2/c1-13(20-24-14(2)25-30-20)26-10-11-27(21(26)29)17-8-5-9-18-15(17)12-23-28(18)19-7-4-3-6-16(19)22/h3-9,12-13H,10-11H2,1-2H3
InChIKeyZPGQRWILCLKLFQ-UHFFFAOYSA-N
MW406.42 g/mol
LogP3.86
Rot. Bonds4

About 1-[1-(2-fluorophenyl)indazol-4-yl]-3-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]imidazolidin-2-one

1-[1-(2-fluorophenyl)indazol-4-yl]-3-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]imidazolidin-2-one (PubChem CID 118937862) has the molecular formula C21H19FN6O2 and a molecular weight of 406.42 g/mol. Its IUPAC name is 1-[1-(2-fluorophenyl)indazol-4-yl]-3-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[1-(2-fluorophenyl)indazol-4-yl]-3-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]imidazolidin-2-one
PubChem CID118937862
Molecular FormulaC21H19FN6O2
Molecular Weight406.42 g/mol
Exact Mass406.16
IUPAC Name1-[1-(2-fluorophenyl)indazol-4-yl]-3-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]imidazolidin-2-one
SMILESCc1noc(C(C)N2CCN(c3cccc4c3cnn4-c3ccccc3F)C2=O)n1
InChIInChI=1S/C21H19FN6O2/c1-13(20-24-14(2)25-30-20)26-10-11-27(21(26)29)17-8-5-9-18-15(17)12-23-28(18)19-7-4-3-6-16(19)22/h3-9,12-13H,10-11H2,1-2H3
InChIKeyZPGQRWILCLKLFQ-UHFFFAOYSA-N
XLogP3.86
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.42
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-fluorophenyl)indazol-4-yl]-3-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]imidazolidin-2-one?
The IUPAC name of 1-[1-(2-fluorophenyl)indazol-4-yl]-3-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]imidazolidin-2-one (CID 118937862) is 1-[1-(2-fluorophenyl)indazol-4-yl]-3-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]imidazolidin-2-one.
What is the SMILES notation for 1-[1-(2-fluorophenyl)indazol-4-yl]-3-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]imidazolidin-2-one?
The canonical SMILES for 1-[1-(2-fluorophenyl)indazol-4-yl]-3-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]imidazolidin-2-one is Cc1noc(C(C)N2CCN(c3cccc4c3cnn4-c3ccccc3F)C2=O)n1.
What is the InChIKey of 1-[1-(2-fluorophenyl)indazol-4-yl]-3-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]imidazolidin-2-one?
The InChIKey is ZPGQRWILCLKLFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN6O2/c1-13(20-24-14(2)25-30-20)26-10-11-27(21(26)29)17-8-5-9-18-15(17)12-23-28(18)19-7-4-3-6-16(19)22/h3-9,12-13H,10-11H2,1-2H3.
What are the key properties of 1-[1-(2-fluorophenyl)indazol-4-yl]-3-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]imidazolidin-2-one?
1-[1-(2-fluorophenyl)indazol-4-yl]-3-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]imidazolidin-2-one has a molecular weight of 406.42 g/mol, XLogP of 3.86, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-fluorophenyl)indazol-4-yl]-3-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]imidazolidin-2-one is sourced from PubChem (CID 118937862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).