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

C23H25N5O3 — CID 42637278

IUPACtert-butyl N-[[5-[2-(2-phenylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1noc(-c2c3ccccc3nn2CCc2ccccc2)n1
InChIInChI=1S/C23H25N5O3/c1-23(2,3)30-22(29)24-15-19-25-21(31-27-19)20-17-11-7-8-12-18(17)26-28(20)14-13-16-9-5-4-6-10-16/h4-12H,13-15H2,1-3H3,(H,24,29)
InChIKeyXPXCLNUYAWJOPK-UHFFFAOYSA-N
MW419.49 g/mol
LogP4.35
Rot. Bonds6

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

tert-butyl N-[[5-[2-(2-phenylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]carbamate (PubChem CID 42637278) has the molecular formula C23H25N5O3 and a molecular weight of 419.49 g/mol. Its IUPAC name is tert-butyl N-[[5-[2-(2-phenylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[5-[2-(2-phenylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]carbamate
PubChem CID42637278
Molecular FormulaC23H25N5O3
Molecular Weight419.49 g/mol
Exact Mass419.20
IUPAC Nametert-butyl N-[[5-[2-(2-phenylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1noc(-c2c3ccccc3nn2CCc2ccccc2)n1
InChIInChI=1S/C23H25N5O3/c1-23(2,3)30-22(29)24-15-19-25-21(31-27-19)20-17-11-7-8-12-18(17)26-28(20)14-13-16-9-5-4-6-10-16/h4-12H,13-15H2,1-3H3,(H,24,29)
InChIKeyXPXCLNUYAWJOPK-UHFFFAOYSA-N
XLogP4.35
TPSA95.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.49
LogP ≤ 54.35
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-(2-phenylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[5-[2-(2-phenylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]carbamate (CID 42637278) is tert-butyl N-[[5-[2-(2-phenylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[5-[2-(2-phenylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[5-[2-(2-phenylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]carbamate is CC(C)(C)OC(=O)NCc1noc(-c2c3ccccc3nn2CCc2ccccc2)n1.
What is the InChIKey of tert-butyl N-[[5-[2-(2-phenylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]carbamate?
The InChIKey is XPXCLNUYAWJOPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O3/c1-23(2,3)30-22(29)24-15-19-25-21(31-27-19)20-17-11-7-8-12-18(17)26-28(20)14-13-16-9-5-4-6-10-16/h4-12H,13-15H2,1-3H3,(H,24,29).
What are the key properties of tert-butyl N-[[5-[2-(2-phenylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]carbamate?
tert-butyl N-[[5-[2-(2-phenylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]carbamate has a molecular weight of 419.49 g/mol, XLogP of 4.35, 6 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-(2-phenylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]carbamate is sourced from PubChem (CID 42637278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).