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

C23H24N6O4 — CID 42637498

IUPACtert-butyl N-[[5-[1-[(4-carbamoylphenyl)methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1noc(-c2nn(Cc3ccc(C(N)=O)cc3)c3ccccc23)n1
InChIInChI=1S/C23H24N6O4/c1-23(2,3)32-22(31)25-12-18-26-21(33-28-18)19-16-6-4-5-7-17(16)29(27-19)13-14-8-10-15(11-9-14)20(24)30/h4-11H,12-13H2,1-3H3,(H2,24,30)(H,25,31)
InChIKeyLORYRGKPUUNITH-UHFFFAOYSA-N
MW448.48 g/mol
LogP3.26
Rot. Bonds6

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

tert-butyl N-[[5-[1-[(4-carbamoylphenyl)methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]carbamate (PubChem CID 42637498) has the molecular formula C23H24N6O4 and a molecular weight of 448.48 g/mol. Its IUPAC name is tert-butyl N-[[5-[1-[(4-carbamoylphenyl)methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[5-[1-[(4-carbamoylphenyl)methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]carbamate
PubChem CID42637498
Molecular FormulaC23H24N6O4
Molecular Weight448.48 g/mol
Exact Mass448.19
IUPAC Nametert-butyl N-[[5-[1-[(4-carbamoylphenyl)methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1noc(-c2nn(Cc3ccc(C(N)=O)cc3)c3ccccc23)n1
InChIInChI=1S/C23H24N6O4/c1-23(2,3)32-22(31)25-12-18-26-21(33-28-18)19-16-6-4-5-7-17(16)29(27-19)13-14-8-10-15(11-9-14)20(24)30/h4-11H,12-13H2,1-3H3,(H2,24,30)(H,25,31)
InChIKeyLORYRGKPUUNITH-UHFFFAOYSA-N
XLogP3.26
TPSA138.16 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.48
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[5-[1-[(4-carbamoylphenyl)methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[5-[1-[(4-carbamoylphenyl)methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]carbamate (CID 42637498) is tert-butyl N-[[5-[1-[(4-carbamoylphenyl)methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[5-[1-[(4-carbamoylphenyl)methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[5-[1-[(4-carbamoylphenyl)methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]carbamate is CC(C)(C)OC(=O)NCc1noc(-c2nn(Cc3ccc(C(N)=O)cc3)c3ccccc23)n1.
What is the InChIKey of tert-butyl N-[[5-[1-[(4-carbamoylphenyl)methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]carbamate?
The InChIKey is LORYRGKPUUNITH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O4/c1-23(2,3)32-22(31)25-12-18-26-21(33-28-18)19-16-6-4-5-7-17(16)29(27-19)13-14-8-10-15(11-9-14)20(24)30/h4-11H,12-13H2,1-3H3,(H2,24,30)(H,25,31).
What are the key properties of tert-butyl N-[[5-[1-[(4-carbamoylphenyl)methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]carbamate?
tert-butyl N-[[5-[1-[(4-carbamoylphenyl)methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]carbamate has a molecular weight of 448.48 g/mol, XLogP of 3.26, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[5-[1-[(4-carbamoylphenyl)methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]carbamate is sourced from PubChem (CID 42637498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).