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

C24H23N7O4 — CID 44574712

IUPACtert-butyl N-[[5-[1-[[4-(oxadiazol-4-yl)phenyl]methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1noc(-c2nn(Cc3ccc(-c4conn4)cc3)c3ccccc23)n1
InChIInChI=1S/C24H23N7O4/c1-24(2,3)34-23(32)25-12-20-26-22(35-29-20)21-17-6-4-5-7-19(17)31(28-21)13-15-8-10-16(11-9-15)18-14-33-30-27-18/h4-11,14H,12-13H2,1-3H3,(H,25,32)
InChIKeyHRMHRBVKPAZZSJ-UHFFFAOYSA-N
MW473.49 g/mol
LogP4.21
Rot. Bonds6

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

tert-butyl N-[[5-[1-[[4-(oxadiazol-4-yl)phenyl]methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]carbamate (PubChem CID 44574712) has the molecular formula C24H23N7O4 and a molecular weight of 473.49 g/mol. Its IUPAC name is tert-butyl N-[[5-[1-[[4-(oxadiazol-4-yl)phenyl]methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[5-[1-[[4-(oxadiazol-4-yl)phenyl]methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]carbamate
PubChem CID44574712
Molecular FormulaC24H23N7O4
Molecular Weight473.49 g/mol
Exact Mass473.18
IUPAC Nametert-butyl N-[[5-[1-[[4-(oxadiazol-4-yl)phenyl]methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1noc(-c2nn(Cc3ccc(-c4conn4)cc3)c3ccccc23)n1
InChIInChI=1S/C24H23N7O4/c1-24(2,3)34-23(32)25-12-20-26-22(35-29-20)21-17-6-4-5-7-19(17)31(28-21)13-15-8-10-16(11-9-15)18-14-33-30-27-18/h4-11,14H,12-13H2,1-3H3,(H,25,32)
InChIKeyHRMHRBVKPAZZSJ-UHFFFAOYSA-N
XLogP4.21
TPSA133.99 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.49
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[5-[1-[[4-(oxadiazol-4-yl)phenyl]methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[5-[1-[[4-(oxadiazol-4-yl)phenyl]methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]carbamate (CID 44574712) is tert-butyl N-[[5-[1-[[4-(oxadiazol-4-yl)phenyl]methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[5-[1-[[4-(oxadiazol-4-yl)phenyl]methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[5-[1-[[4-(oxadiazol-4-yl)phenyl]methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]carbamate is CC(C)(C)OC(=O)NCc1noc(-c2nn(Cc3ccc(-c4conn4)cc3)c3ccccc23)n1.
What is the InChIKey of tert-butyl N-[[5-[1-[[4-(oxadiazol-4-yl)phenyl]methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]carbamate?
The InChIKey is HRMHRBVKPAZZSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N7O4/c1-24(2,3)34-23(32)25-12-20-26-22(35-29-20)21-17-6-4-5-7-19(17)31(28-21)13-15-8-10-16(11-9-15)18-14-33-30-27-18/h4-11,14H,12-13H2,1-3H3,(H,25,32).
What are the key properties of tert-butyl N-[[5-[1-[[4-(oxadiazol-4-yl)phenyl]methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]carbamate?
tert-butyl N-[[5-[1-[[4-(oxadiazol-4-yl)phenyl]methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]carbamate has a molecular weight of 473.49 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[5-[1-[[4-(oxadiazol-4-yl)phenyl]methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]carbamate is sourced from PubChem (CID 44574712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).