tert-butyl 5-cyclopropyl-6-(1,2-oxazol-3-ylmethoxy)indazole-1-carboxylate

C19H21N3O4 — CID 171644826

IUPACtert-butyl 5-cyclopropyl-6-(1,2-oxazol-3-ylmethoxy)indazole-1-carboxylate
SMILESCC(C)(C)OC(=O)n1ncc2cc(C3CC3)c(OCc3ccon3)cc21
InChIInChI=1S/C19H21N3O4/c1-19(2,3)26-18(23)22-16-9-17(24-11-14-6-7-25-21-14)15(12-4-5-12)8-13(16)10-20-22/h6-10,12H,4-5,11H2,1-3H3
InChIKeyAOIUODLWOSPLRG-UHFFFAOYSA-N
MW355.39 g/mol
LogP4.26
Rot. Bonds4

About tert-butyl 5-cyclopropyl-6-(1,2-oxazol-3-ylmethoxy)indazole-1-carboxylate

tert-butyl 5-cyclopropyl-6-(1,2-oxazol-3-ylmethoxy)indazole-1-carboxylate (PubChem CID 171644826) has the molecular formula C19H21N3O4 and a molecular weight of 355.39 g/mol. Its IUPAC name is tert-butyl 5-cyclopropyl-6-(1,2-oxazol-3-ylmethoxy)indazole-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 5-cyclopropyl-6-(1,2-oxazol-3-ylmethoxy)indazole-1-carboxylate
PubChem CID171644826
Molecular FormulaC19H21N3O4
Molecular Weight355.39 g/mol
Exact Mass355.15
IUPAC Nametert-butyl 5-cyclopropyl-6-(1,2-oxazol-3-ylmethoxy)indazole-1-carboxylate
SMILESCC(C)(C)OC(=O)n1ncc2cc(C3CC3)c(OCc3ccon3)cc21
InChIInChI=1S/C19H21N3O4/c1-19(2,3)26-18(23)22-16-9-17(24-11-14-6-7-25-21-14)15(12-4-5-12)8-13(16)10-20-22/h6-10,12H,4-5,11H2,1-3H3
InChIKeyAOIUODLWOSPLRG-UHFFFAOYSA-N
XLogP4.26
TPSA79.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-cyclopropyl-6-(1,2-oxazol-3-ylmethoxy)indazole-1-carboxylate?
The IUPAC name of tert-butyl 5-cyclopropyl-6-(1,2-oxazol-3-ylmethoxy)indazole-1-carboxylate (CID 171644826) is tert-butyl 5-cyclopropyl-6-(1,2-oxazol-3-ylmethoxy)indazole-1-carboxylate.
What is the SMILES notation for tert-butyl 5-cyclopropyl-6-(1,2-oxazol-3-ylmethoxy)indazole-1-carboxylate?
The canonical SMILES for tert-butyl 5-cyclopropyl-6-(1,2-oxazol-3-ylmethoxy)indazole-1-carboxylate is CC(C)(C)OC(=O)n1ncc2cc(C3CC3)c(OCc3ccon3)cc21.
What is the InChIKey of tert-butyl 5-cyclopropyl-6-(1,2-oxazol-3-ylmethoxy)indazole-1-carboxylate?
The InChIKey is AOIUODLWOSPLRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4/c1-19(2,3)26-18(23)22-16-9-17(24-11-14-6-7-25-21-14)15(12-4-5-12)8-13(16)10-20-22/h6-10,12H,4-5,11H2,1-3H3.
What are the key properties of tert-butyl 5-cyclopropyl-6-(1,2-oxazol-3-ylmethoxy)indazole-1-carboxylate?
tert-butyl 5-cyclopropyl-6-(1,2-oxazol-3-ylmethoxy)indazole-1-carboxylate has a molecular weight of 355.39 g/mol, XLogP of 4.26, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5-cyclopropyl-6-(1,2-oxazol-3-ylmethoxy)indazole-1-carboxylate is sourced from PubChem (CID 171644826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).