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

C17H19N5O4 — CID 42637281

IUPACtert-butyl N-[[5-(1-acetylindazol-3-yl)-1,2,4-oxadiazol-3-yl]methyl]carbamate
SMILESCC(=O)n1nc(-c2nc(CNC(=O)OC(C)(C)C)no2)c2ccccc21
InChIInChI=1S/C17H19N5O4/c1-10(23)22-12-8-6-5-7-11(12)14(20-22)15-19-13(21-26-15)9-18-16(24)25-17(2,3)4/h5-8H,9H2,1-4H3,(H,18,24)
InChIKeyZDQWIROUEKDXJI-UHFFFAOYSA-N
MW357.37 g/mol
LogP2.77
Rot. Bonds3

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

tert-butyl N-[[5-(1-acetylindazol-3-yl)-1,2,4-oxadiazol-3-yl]methyl]carbamate (PubChem CID 42637281) has the molecular formula C17H19N5O4 and a molecular weight of 357.37 g/mol. Its IUPAC name is tert-butyl N-[[5-(1-acetylindazol-3-yl)-1,2,4-oxadiazol-3-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[5-(1-acetylindazol-3-yl)-1,2,4-oxadiazol-3-yl]methyl]carbamate
PubChem CID42637281
Molecular FormulaC17H19N5O4
Molecular Weight357.37 g/mol
Exact Mass357.14
IUPAC Nametert-butyl N-[[5-(1-acetylindazol-3-yl)-1,2,4-oxadiazol-3-yl]methyl]carbamate
SMILESCC(=O)n1nc(-c2nc(CNC(=O)OC(C)(C)C)no2)c2ccccc21
InChIInChI=1S/C17H19N5O4/c1-10(23)22-12-8-6-5-7-11(12)14(20-22)15-19-13(21-26-15)9-18-16(24)25-17(2,3)4/h5-8H,9H2,1-4H3,(H,18,24)
InChIKeyZDQWIROUEKDXJI-UHFFFAOYSA-N
XLogP2.77
TPSA112.14 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

tert-butyl N-[[5-[1-[[4-(1H-pyrazol-4-yl)phenyl]methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]carbamate
CID 44574711
tert-butyl N-[[5-(2-oxo-3H-1,3-benzoxazol-4-yl)-1,2,4-oxadiazol-3-yl]methyl]carbamate
CID 146135327
ethyl 3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,2,4-oxadiazole-5-carboxylate
CID 50742305
3,3-dimethyl-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]butanamide
CID 53098234
tert-butyl N-[(3-methyl-4-oxophthalazin-1-yl)methyl]carbamate
CID 71779480
tert-butyl N-[2-[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]ethyl]carbamate
CID 133482508
tert-butyl N-[2-(3-iodoindazol-1-yl)ethyl]carbamate
CID 138461102
tert-butyl N-[(5-chloro-1,2,4-thiadiazol-3-yl)methyl]carbamate
CID 23404363
tert-butyl 3-(methylamino)indazole-1-carboxylate
CID 175803932
tert-butyl 3-[4-(hydroxymethyl)phenyl]indazole-1-carboxylate
CID 67059747
tert-butyl N-(furan-3-ylmethyl)carbamate
CID 45091890
tert-butyl N-[[2-(acetamidomethyl)phenyl]methyl]carbamate
CID 576438

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[5-(1-acetylindazol-3-yl)-1,2,4-oxadiazol-3-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[5-(1-acetylindazol-3-yl)-1,2,4-oxadiazol-3-yl]methyl]carbamate (CID 42637281) is tert-butyl N-[[5-(1-acetylindazol-3-yl)-1,2,4-oxadiazol-3-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[5-(1-acetylindazol-3-yl)-1,2,4-oxadiazol-3-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[5-(1-acetylindazol-3-yl)-1,2,4-oxadiazol-3-yl]methyl]carbamate is CC(=O)n1nc(-c2nc(CNC(=O)OC(C)(C)C)no2)c2ccccc21.
What is the InChIKey of tert-butyl N-[[5-(1-acetylindazol-3-yl)-1,2,4-oxadiazol-3-yl]methyl]carbamate?
The InChIKey is ZDQWIROUEKDXJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O4/c1-10(23)22-12-8-6-5-7-11(12)14(20-22)15-19-13(21-26-15)9-18-16(24)25-17(2,3)4/h5-8H,9H2,1-4H3,(H,18,24).
What are the key properties of tert-butyl N-[[5-(1-acetylindazol-3-yl)-1,2,4-oxadiazol-3-yl]methyl]carbamate?
tert-butyl N-[[5-(1-acetylindazol-3-yl)-1,2,4-oxadiazol-3-yl]methyl]carbamate has a molecular weight of 357.37 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[5-(1-acetylindazol-3-yl)-1,2,4-oxadiazol-3-yl]methyl]carbamate is sourced from PubChem (CID 42637281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).