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

C22H23N5O3 — CID 42637981

IUPACtert-butyl N-[[5-(2-benzylindazol-3-yl)-1,2,4-oxadiazol-3-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1noc(-c2c3ccccc3nn2Cc2ccccc2)n1
InChIInChI=1S/C22H23N5O3/c1-22(2,3)29-21(28)23-13-18-24-20(30-26-18)19-16-11-7-8-12-17(16)25-27(19)14-15-9-5-4-6-10-15/h4-12H,13-14H2,1-3H3,(H,23,28)
InChIKeyZPEBGOBEKQMIJB-UHFFFAOYSA-N
MW405.46 g/mol
LogP4.16
Rot. Bonds5

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

tert-butyl N-[[5-(2-benzylindazol-3-yl)-1,2,4-oxadiazol-3-yl]methyl]carbamate (PubChem CID 42637981) has the molecular formula C22H23N5O3 and a molecular weight of 405.46 g/mol. Its IUPAC name is tert-butyl N-[[5-(2-benzylindazol-3-yl)-1,2,4-oxadiazol-3-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[5-(2-benzylindazol-3-yl)-1,2,4-oxadiazol-3-yl]methyl]carbamate
PubChem CID42637981
Molecular FormulaC22H23N5O3
Molecular Weight405.46 g/mol
Exact Mass405.18
IUPAC Nametert-butyl N-[[5-(2-benzylindazol-3-yl)-1,2,4-oxadiazol-3-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1noc(-c2c3ccccc3nn2Cc2ccccc2)n1
InChIInChI=1S/C22H23N5O3/c1-22(2,3)29-21(28)23-13-18-24-20(30-26-18)19-16-11-7-8-12-17(16)25-27(19)14-15-9-5-4-6-10-15/h4-12H,13-14H2,1-3H3,(H,23,28)
InChIKeyZPEBGOBEKQMIJB-UHFFFAOYSA-N
XLogP4.16
TPSA95.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.46
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[5-(2-benzylindazol-3-yl)-1,2,4-oxadiazol-3-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[5-(2-benzylindazol-3-yl)-1,2,4-oxadiazol-3-yl]methyl]carbamate (CID 42637981) is tert-butyl N-[[5-(2-benzylindazol-3-yl)-1,2,4-oxadiazol-3-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[5-(2-benzylindazol-3-yl)-1,2,4-oxadiazol-3-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[5-(2-benzylindazol-3-yl)-1,2,4-oxadiazol-3-yl]methyl]carbamate is CC(C)(C)OC(=O)NCc1noc(-c2c3ccccc3nn2Cc2ccccc2)n1.
What is the InChIKey of tert-butyl N-[[5-(2-benzylindazol-3-yl)-1,2,4-oxadiazol-3-yl]methyl]carbamate?
The InChIKey is ZPEBGOBEKQMIJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O3/c1-22(2,3)29-21(28)23-13-18-24-20(30-26-18)19-16-11-7-8-12-17(16)25-27(19)14-15-9-5-4-6-10-15/h4-12H,13-14H2,1-3H3,(H,23,28).
What are the key properties of tert-butyl N-[[5-(2-benzylindazol-3-yl)-1,2,4-oxadiazol-3-yl]methyl]carbamate?
tert-butyl N-[[5-(2-benzylindazol-3-yl)-1,2,4-oxadiazol-3-yl]methyl]carbamate has a molecular weight of 405.46 g/mol, XLogP of 4.16, 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-(2-benzylindazol-3-yl)-1,2,4-oxadiazol-3-yl]methyl]carbamate is sourced from PubChem (CID 42637981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).