1-[2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-1,3-oxazol-4-yl]butan-1-one

C21H18FN3O2 — CID 21334391

IUPAC1-[2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-1,3-oxazol-4-yl]butan-1-one
SMILESCCCC(=O)c1coc(-c2nn(Cc3ccccc3F)c3ccccc23)n1
InChIInChI=1S/C21H18FN3O2/c1-2-7-19(26)17-13-27-21(23-17)20-15-9-4-6-11-18(15)25(24-20)12-14-8-3-5-10-16(14)22/h3-6,8-11,13H,2,7,12H2,1H3
InChIKeyAJHXZCZPSNAKRH-UHFFFAOYSA-N
MW363.39 g/mol
LogP4.86
Rot. Bonds6

About 1-[2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-1,3-oxazol-4-yl]butan-1-one

1-[2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-1,3-oxazol-4-yl]butan-1-one (PubChem CID 21334391) has the molecular formula C21H18FN3O2 and a molecular weight of 363.39 g/mol. Its IUPAC name is 1-[2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-1,3-oxazol-4-yl]butan-1-one.

Molecular Properties

Compound Name1-[2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-1,3-oxazol-4-yl]butan-1-one
PubChem CID21334391
Molecular FormulaC21H18FN3O2
Molecular Weight363.39 g/mol
Exact Mass363.14
IUPAC Name1-[2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-1,3-oxazol-4-yl]butan-1-one
SMILESCCCC(=O)c1coc(-c2nn(Cc3ccccc3F)c3ccccc23)n1
InChIInChI=1S/C21H18FN3O2/c1-2-7-19(26)17-13-27-21(23-17)20-15-9-4-6-11-18(15)25(24-20)12-14-8-3-5-10-16(14)22/h3-6,8-11,13H,2,7,12H2,1H3
InChIKeyAJHXZCZPSNAKRH-UHFFFAOYSA-N
XLogP4.86
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.39
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-1,3-oxazol-4-yl]butan-1-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 1-[2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-1,3-oxazol-4-yl]butan-1-one?
The IUPAC name of 1-[2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-1,3-oxazol-4-yl]butan-1-one (CID 21334391) is 1-[2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-1,3-oxazol-4-yl]butan-1-one.
What is the SMILES notation for 1-[2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-1,3-oxazol-4-yl]butan-1-one?
The canonical SMILES for 1-[2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-1,3-oxazol-4-yl]butan-1-one is CCCC(=O)c1coc(-c2nn(Cc3ccccc3F)c3ccccc23)n1.
What is the InChIKey of 1-[2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-1,3-oxazol-4-yl]butan-1-one?
The InChIKey is AJHXZCZPSNAKRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN3O2/c1-2-7-19(26)17-13-27-21(23-17)20-15-9-4-6-11-18(15)25(24-20)12-14-8-3-5-10-16(14)22/h3-6,8-11,13H,2,7,12H2,1H3.
What are the key properties of 1-[2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-1,3-oxazol-4-yl]butan-1-one?
1-[2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-1,3-oxazol-4-yl]butan-1-one has a molecular weight of 363.39 g/mol, XLogP of 4.86, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-1,3-oxazol-4-yl]butan-1-one is sourced from PubChem (CID 21334391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).