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

C20H16FN3O3 — CID 22084823

IUPACethyl 2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1coc(-c2nn(Cc3ccccc3F)c3ccccc23)n1
InChIInChI=1S/C20H16FN3O3/c1-2-26-20(25)16-12-27-19(22-16)18-14-8-4-6-10-17(14)24(23-18)11-13-7-3-5-9-15(13)21/h3-10,12H,2,11H2,1H3
InChIKeyMCGKJFYIYYAUOI-UHFFFAOYSA-N
MW365.36 g/mol
LogP4.06
Rot. Bonds5

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

ethyl 2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-1,3-oxazole-4-carboxylate (PubChem CID 22084823) has the molecular formula C20H16FN3O3 and a molecular weight of 365.36 g/mol. Its IUPAC name is ethyl 2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-1,3-oxazole-4-carboxylate
PubChem CID22084823
Molecular FormulaC20H16FN3O3
Molecular Weight365.36 g/mol
Exact Mass365.12
IUPAC Nameethyl 2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1coc(-c2nn(Cc3ccccc3F)c3ccccc23)n1
InChIInChI=1S/C20H16FN3O3/c1-2-26-20(25)16-12-27-19(22-16)18-14-8-4-6-10-17(14)24(23-18)11-13-7-3-5-9-15(13)21/h3-10,12H,2,11H2,1H3
InChIKeyMCGKJFYIYYAUOI-UHFFFAOYSA-N
XLogP4.06
TPSA70.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.36
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-1,3-oxazole-4-carboxylate?
The IUPAC name of ethyl 2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-1,3-oxazole-4-carboxylate (CID 22084823) is ethyl 2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-1,3-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-1,3-oxazole-4-carboxylate?
The canonical SMILES for ethyl 2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-1,3-oxazole-4-carboxylate is CCOC(=O)c1coc(-c2nn(Cc3ccccc3F)c3ccccc23)n1.
What is the InChIKey of ethyl 2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-1,3-oxazole-4-carboxylate?
The InChIKey is MCGKJFYIYYAUOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN3O3/c1-2-26-20(25)16-12-27-19(22-16)18-14-8-4-6-10-17(14)24(23-18)11-13-7-3-5-9-15(13)21/h3-10,12H,2,11H2,1H3.
What are the key properties of ethyl 2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-1,3-oxazole-4-carboxylate?
ethyl 2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-1,3-oxazole-4-carboxylate has a molecular weight of 365.36 g/mol, XLogP of 4.06, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 22084823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).