2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-4-propan-2-yl-1,3-oxazole

C20H18FN3O — CID 21334393

IUPAC2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-4-propan-2-yl-1,3-oxazole
SMILESCC(C)c1coc(-c2nn(Cc3ccccc3F)c3ccccc23)n1
InChIInChI=1S/C20H18FN3O/c1-13(2)17-12-25-20(22-17)19-15-8-4-6-10-18(15)24(23-19)11-14-7-3-5-9-16(14)21/h3-10,12-13H,11H2,1-2H3
InChIKeyIQMXYFOBDIOESS-UHFFFAOYSA-N
MW335.38 g/mol
LogP5.00
Rot. Bonds4

About 2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-4-propan-2-yl-1,3-oxazole

2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-4-propan-2-yl-1,3-oxazole (PubChem CID 21334393) has the molecular formula C20H18FN3O and a molecular weight of 335.38 g/mol. Its IUPAC name is 2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-4-propan-2-yl-1,3-oxazole.

Molecular Properties

Compound Name2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-4-propan-2-yl-1,3-oxazole
PubChem CID21334393
Molecular FormulaC20H18FN3O
Molecular Weight335.38 g/mol
Exact Mass335.14
IUPAC Name2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-4-propan-2-yl-1,3-oxazole
SMILESCC(C)c1coc(-c2nn(Cc3ccccc3F)c3ccccc23)n1
InChIInChI=1S/C20H18FN3O/c1-13(2)17-12-25-20(22-17)19-15-8-4-6-10-18(15)24(23-19)11-14-7-3-5-9-16(14)21/h3-10,12-13H,11H2,1-2H3
InChIKeyIQMXYFOBDIOESS-UHFFFAOYSA-N
XLogP5.00
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.38
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-4-propan-2-yl-1,3-oxazole?
The IUPAC name of 2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-4-propan-2-yl-1,3-oxazole (CID 21334393) is 2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-4-propan-2-yl-1,3-oxazole.
What is the SMILES notation for 2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-4-propan-2-yl-1,3-oxazole?
The canonical SMILES for 2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-4-propan-2-yl-1,3-oxazole is CC(C)c1coc(-c2nn(Cc3ccccc3F)c3ccccc23)n1.
What is the InChIKey of 2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-4-propan-2-yl-1,3-oxazole?
The InChIKey is IQMXYFOBDIOESS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O/c1-13(2)17-12-25-20(22-17)19-15-8-4-6-10-18(15)24(23-19)11-14-7-3-5-9-16(14)21/h3-10,12-13H,11H2,1-2H3.
What are the key properties of 2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-4-propan-2-yl-1,3-oxazole?
2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-4-propan-2-yl-1,3-oxazole has a molecular weight of 335.38 g/mol, XLogP of 5.00, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-4-propan-2-yl-1,3-oxazole is sourced from PubChem (CID 21334393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).