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

C19H16FN3O — CID 21334480

IUPAC4-ethyl-2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-1,3-oxazole
SMILESCCc1coc(-c2nn(Cc3ccccc3F)c3ccccc23)n1
InChIInChI=1S/C19H16FN3O/c1-2-14-12-24-19(21-14)18-15-8-4-6-10-17(15)23(22-18)11-13-7-3-5-9-16(13)20/h3-10,12H,2,11H2,1H3
InChIKeyQBSNIUPNRIPPFP-UHFFFAOYSA-N
MW321.36 g/mol
LogP4.44
Rot. Bonds4

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

4-ethyl-2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-1,3-oxazole (PubChem CID 21334480) has the molecular formula C19H16FN3O and a molecular weight of 321.36 g/mol. Its IUPAC name is 4-ethyl-2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-1,3-oxazole.

Molecular Properties

Compound Name4-ethyl-2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-1,3-oxazole
PubChem CID21334480
Molecular FormulaC19H16FN3O
Molecular Weight321.36 g/mol
Exact Mass321.13
IUPAC Name4-ethyl-2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-1,3-oxazole
SMILESCCc1coc(-c2nn(Cc3ccccc3F)c3ccccc23)n1
InChIInChI=1S/C19H16FN3O/c1-2-14-12-24-19(21-14)18-15-8-4-6-10-17(15)23(22-18)11-13-7-3-5-9-16(13)20/h3-10,12H,2,11H2,1H3
InChIKeyQBSNIUPNRIPPFP-UHFFFAOYSA-N
XLogP4.44
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.36
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-1,3-oxazole?
The IUPAC name of 4-ethyl-2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-1,3-oxazole (CID 21334480) is 4-ethyl-2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-1,3-oxazole.
What is the SMILES notation for 4-ethyl-2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-1,3-oxazole?
The canonical SMILES for 4-ethyl-2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-1,3-oxazole is CCc1coc(-c2nn(Cc3ccccc3F)c3ccccc23)n1.
What is the InChIKey of 4-ethyl-2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-1,3-oxazole?
The InChIKey is QBSNIUPNRIPPFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O/c1-2-14-12-24-19(21-14)18-15-8-4-6-10-17(15)23(22-18)11-13-7-3-5-9-16(13)20/h3-10,12H,2,11H2,1H3.
What are the key properties of 4-ethyl-2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-1,3-oxazole?
4-ethyl-2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-1,3-oxazole has a molecular weight of 321.36 g/mol, XLogP of 4.44, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-1,3-oxazole is sourced from PubChem (CID 21334480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).