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

C24H26N6O4 — CID 42638063

IUPACtert-butyl N-[[5-[1-[(4-acetamidophenyl)methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]carbamate
SMILESCC(=O)Nc1ccc(Cn2nc(-c3nc(CNC(=O)OC(C)(C)C)no3)c3ccccc32)cc1
InChIInChI=1S/C24H26N6O4/c1-15(31)26-17-11-9-16(10-12-17)14-30-19-8-6-5-7-18(19)21(28-30)22-27-20(29-34-22)13-25-23(32)33-24(2,3)4/h5-12H,13-14H2,1-4H3,(H,25,32)(H,26,31)
InChIKeyQZXSGNXXLPBXBJ-UHFFFAOYSA-N
MW462.51 g/mol
LogP4.12
Rot. Bonds6

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

tert-butyl N-[[5-[1-[(4-acetamidophenyl)methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]carbamate (PubChem CID 42638063) has the molecular formula C24H26N6O4 and a molecular weight of 462.51 g/mol. Its IUPAC name is tert-butyl N-[[5-[1-[(4-acetamidophenyl)methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[5-[1-[(4-acetamidophenyl)methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]carbamate
PubChem CID42638063
Molecular FormulaC24H26N6O4
Molecular Weight462.51 g/mol
Exact Mass462.20
IUPAC Nametert-butyl N-[[5-[1-[(4-acetamidophenyl)methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]carbamate
SMILESCC(=O)Nc1ccc(Cn2nc(-c3nc(CNC(=O)OC(C)(C)C)no3)c3ccccc32)cc1
InChIInChI=1S/C24H26N6O4/c1-15(31)26-17-11-9-16(10-12-17)14-30-19-8-6-5-7-18(19)21(28-30)22-27-20(29-34-22)13-25-23(32)33-24(2,3)4/h5-12H,13-14H2,1-4H3,(H,25,32)(H,26,31)
InChIKeyQZXSGNXXLPBXBJ-UHFFFAOYSA-N
XLogP4.12
TPSA124.17 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.51
LogP ≤ 54.12
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-acetamidophenyl)methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[5-[1-[(4-acetamidophenyl)methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]carbamate (CID 42638063) is tert-butyl N-[[5-[1-[(4-acetamidophenyl)methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[5-[1-[(4-acetamidophenyl)methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[5-[1-[(4-acetamidophenyl)methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]carbamate is CC(=O)Nc1ccc(Cn2nc(-c3nc(CNC(=O)OC(C)(C)C)no3)c3ccccc32)cc1.
What is the InChIKey of tert-butyl N-[[5-[1-[(4-acetamidophenyl)methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]carbamate?
The InChIKey is QZXSGNXXLPBXBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O4/c1-15(31)26-17-11-9-16(10-12-17)14-30-19-8-6-5-7-18(19)21(28-30)22-27-20(29-34-22)13-25-23(32)33-24(2,3)4/h5-12H,13-14H2,1-4H3,(H,25,32)(H,26,31).
What are the key properties of tert-butyl N-[[5-[1-[(4-acetamidophenyl)methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]carbamate?
tert-butyl N-[[5-[1-[(4-acetamidophenyl)methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]carbamate has a molecular weight of 462.51 g/mol, XLogP of 4.12, 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-acetamidophenyl)methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]carbamate is sourced from PubChem (CID 42638063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).