tert-butyl N-[[5-[1-[[3-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]carbamate

C23H22F3N5O3 — CID 42637001

IUPACtert-butyl N-[[5-[1-[[3-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1noc(-c2nn(Cc3cccc(C(F)(F)F)c3)c3ccccc23)n1
InChIInChI=1S/C23H22F3N5O3/c1-22(2,3)33-21(32)27-12-18-28-20(34-30-18)19-16-9-4-5-10-17(16)31(29-19)13-14-7-6-8-15(11-14)23(24,25)26/h4-11H,12-13H2,1-3H3,(H,27,32)
InChIKeyXDYASBHCBRXHKH-UHFFFAOYSA-N
MW473.46 g/mol
LogP5.18
Rot. Bonds5

About tert-butyl N-[[5-[1-[[3-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]carbamate

tert-butyl N-[[5-[1-[[3-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]carbamate (PubChem CID 42637001) has the molecular formula C23H22F3N5O3 and a molecular weight of 473.46 g/mol. Its IUPAC name is tert-butyl N-[[5-[1-[[3-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[5-[1-[[3-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]carbamate
PubChem CID42637001
Molecular FormulaC23H22F3N5O3
Molecular Weight473.46 g/mol
Exact Mass473.17
IUPAC Nametert-butyl N-[[5-[1-[[3-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1noc(-c2nn(Cc3cccc(C(F)(F)F)c3)c3ccccc23)n1
InChIInChI=1S/C23H22F3N5O3/c1-22(2,3)33-21(32)27-12-18-28-20(34-30-18)19-16-9-4-5-10-17(16)31(29-19)13-14-7-6-8-15(11-14)23(24,25)26/h4-11H,12-13H2,1-3H3,(H,27,32)
InChIKeyXDYASBHCBRXHKH-UHFFFAOYSA-N
XLogP5.18
TPSA95.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.46
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze tert-butyl N-[[5-[1-[[3-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]carbamate 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 tert-butyl N-[[5-[1-[[3-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[5-[1-[[3-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]carbamate (CID 42637001) is tert-butyl N-[[5-[1-[[3-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[5-[1-[[3-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[5-[1-[[3-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]carbamate is CC(C)(C)OC(=O)NCc1noc(-c2nn(Cc3cccc(C(F)(F)F)c3)c3ccccc23)n1.
What is the InChIKey of tert-butyl N-[[5-[1-[[3-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]carbamate?
The InChIKey is XDYASBHCBRXHKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F3N5O3/c1-22(2,3)33-21(32)27-12-18-28-20(34-30-18)19-16-9-4-5-10-17(16)31(29-19)13-14-7-6-8-15(11-14)23(24,25)26/h4-11H,12-13H2,1-3H3,(H,27,32).
What are the key properties of tert-butyl N-[[5-[1-[[3-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]carbamate?
tert-butyl N-[[5-[1-[[3-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]carbamate has a molecular weight of 473.46 g/mol, XLogP of 5.18, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[5-[1-[[3-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]carbamate is sourced from PubChem (CID 42637001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).