2-[6-(3-Fluorophenyl)-6-phenyl-1,7-dihydroindazol-3-yl]-1,3-oxazole

C22H16FN3O — CID 21928646

IUPAC2-[6-(3-fluorophenyl)-6-phenyl-1,7-dihydroindazol-3-yl]-1,3-oxazole
SMILESC1C2=C(C=CC1(C3=CC=CC=C3)C4=CC(=CC=C4)F)C(=NN2)C5=NC=CO5
InChIInChI=1S/C22H16FN3O/c23-17-8-4-7-16(13-17)22(15-5-2-1-3-6-15)10-9-18-19(14-22)25-26-20(18)21-24-11-12-27-21/h1-13H,14H2,(H,25,26)
InChIKeySVCKSGBDWSTKMK-UHFFFAOYSA-N
MW357.40 g/mol
LogP4.70
Rot. Bonds3

About 2-[6-(3-Fluorophenyl)-6-phenyl-1,7-dihydroindazol-3-yl]-1,3-oxazole

2-[6-(3-Fluorophenyl)-6-phenyl-1,7-dihydroindazol-3-yl]-1,3-oxazole (PubChem CID 21928646) has the molecular formula C22H16FN3O and a molecular weight of 357.40 g/mol. Its IUPAC name is 2-[6-(3-fluorophenyl)-6-phenyl-1,7-dihydroindazol-3-yl]-1,3-oxazole.

Molecular Properties

Compound Name2-[6-(3-Fluorophenyl)-6-phenyl-1,7-dihydroindazol-3-yl]-1,3-oxazole
PubChem CID21928646
Molecular FormulaC22H16FN3O
Molecular Weight357.40 g/mol
Exact Mass357.13
IUPAC Name2-[6-(3-fluorophenyl)-6-phenyl-1,7-dihydroindazol-3-yl]-1,3-oxazole
SMILESC1C2=C(C=CC1(C3=CC=CC=C3)C4=CC(=CC=C4)F)C(=NN2)C5=NC=CO5
InChIInChI=1S/C22H16FN3O/c23-17-8-4-7-16(13-17)22(15-5-2-1-3-6-15)10-9-18-19(14-22)25-26-20(18)21-24-11-12-27-21/h1-13H,14H2,(H,25,26)
InChIKeySVCKSGBDWSTKMK-UHFFFAOYSA-N
XLogP4.70
TPSA54.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity552

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.40
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(3-Fluorophenyl)-6-phenyl-1,7-dihydroindazol-3-yl]-1,3-oxazole?
The IUPAC name of 2-[6-(3-Fluorophenyl)-6-phenyl-1,7-dihydroindazol-3-yl]-1,3-oxazole (CID 21928646) is 2-[6-(3-fluorophenyl)-6-phenyl-1,7-dihydroindazol-3-yl]-1,3-oxazole.
What is the SMILES notation for 2-[6-(3-Fluorophenyl)-6-phenyl-1,7-dihydroindazol-3-yl]-1,3-oxazole?
The canonical SMILES for 2-[6-(3-Fluorophenyl)-6-phenyl-1,7-dihydroindazol-3-yl]-1,3-oxazole is C1C2=C(C=CC1(C3=CC=CC=C3)C4=CC(=CC=C4)F)C(=NN2)C5=NC=CO5.
What is the InChIKey of 2-[6-(3-Fluorophenyl)-6-phenyl-1,7-dihydroindazol-3-yl]-1,3-oxazole?
The InChIKey is SVCKSGBDWSTKMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16FN3O/c23-17-8-4-7-16(13-17)22(15-5-2-1-3-6-15)10-9-18-19(14-22)25-26-20(18)21-24-11-12-27-21/h1-13H,14H2,(H,25,26).
What are the key properties of 2-[6-(3-Fluorophenyl)-6-phenyl-1,7-dihydroindazol-3-yl]-1,3-oxazole?
2-[6-(3-Fluorophenyl)-6-phenyl-1,7-dihydroindazol-3-yl]-1,3-oxazole has a molecular weight of 357.40 g/mol, XLogP of 4.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(3-Fluorophenyl)-6-phenyl-1,7-dihydroindazol-3-yl]-1,3-oxazole is sourced from PubChem (CID 21928646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).