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

C23H25N5O4 — CID 42637279

IUPACtert-butyl N-[[5-[1-(2-phenoxyethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1noc(-c2nn(CCOc3ccccc3)c3ccccc23)n1
InChIInChI=1S/C23H25N5O4/c1-23(2,3)31-22(29)24-15-19-25-21(32-27-19)20-17-11-7-8-12-18(17)28(26-20)13-14-30-16-9-5-4-6-10-16/h4-12H,13-15H2,1-3H3,(H,24,29)
InChIKeyCFOOMLACDVPTGP-UHFFFAOYSA-N
MW435.48 g/mol
LogP4.19
Rot. Bonds7

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

tert-butyl N-[[5-[1-(2-phenoxyethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]carbamate (PubChem CID 42637279) has the molecular formula C23H25N5O4 and a molecular weight of 435.48 g/mol. Its IUPAC name is tert-butyl N-[[5-[1-(2-phenoxyethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[5-[1-(2-phenoxyethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]carbamate
PubChem CID42637279
Molecular FormulaC23H25N5O4
Molecular Weight435.48 g/mol
Exact Mass435.19
IUPAC Nametert-butyl N-[[5-[1-(2-phenoxyethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1noc(-c2nn(CCOc3ccccc3)c3ccccc23)n1
InChIInChI=1S/C23H25N5O4/c1-23(2,3)31-22(29)24-15-19-25-21(32-27-19)20-17-11-7-8-12-18(17)28(26-20)13-14-30-16-9-5-4-6-10-16/h4-12H,13-15H2,1-3H3,(H,24,29)
InChIKeyCFOOMLACDVPTGP-UHFFFAOYSA-N
XLogP4.19
TPSA104.30 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.48
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze tert-butyl N-[[5-[1-(2-phenoxyethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]carbamate with MolForge

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Related Compounds

1,2,4-Oxadiazole-3-methanamine, 5-[1-(phenylmethyl)-1H-indazol-3-yl]-
CID 22239024
1-[2-[3-[[3-[3-[4-(Trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]indazol-1-yl]methyl]phenoxy]ethyl]piperidin-4-ol
CID 141467461
5-[1-[[3-[2-(4-Methylpiperazin-1-yl)ethoxy]phenyl]methyl]indazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole
CID 141467463
tert-butyl N-[[5-[1-[[3-(trifluoromethoxy)phenyl]methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]carbamate
CID 42637000
1,2,4-Oxadiazole-3-methanamine, 5-[2-(phenylmethyl)-2H-indazol-3-yl]-
CID 42637004
(5-(1-Phenethyl-1H-indazol-3-yl)-1,2,4-oxadiazol-3-yl)methanamine
CID 42637282
(5-(2-Phenethyl-2H-indazol-3-yl)-1,2,4-oxadiazol-3-yl)methanamine
CID 42637355
Tert-butyl(5-(1-(benzo[d][1,3]dioxol-5-ylmethyl)-1H-indazol-3-yl)-1,2,4-oxadiazol-3-yl)methylcarbamate
CID 42637431
tert-butyl N-[[5-[1-[(2,3,5-trifluorophenyl)methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]carbamate
CID 42637500
Tert-butyl(5-(1-(3-methylbenzyl)-1H-indazol-3-yl)-1,2,4-oxadiazol-3-yl)methylcarbamate
CID 42637982
tert-butyl N-[[5-[1-(naphthalen-2-ylmethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]carbamate
CID 42638060
tert-butyl N-[[5-[1-[[4-(oxadiazol-4-yl)phenyl]methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]carbamate
CID 44574712

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[5-[1-(2-phenoxyethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[5-[1-(2-phenoxyethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]carbamate (CID 42637279) is tert-butyl N-[[5-[1-(2-phenoxyethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[5-[1-(2-phenoxyethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[5-[1-(2-phenoxyethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]carbamate is CC(C)(C)OC(=O)NCc1noc(-c2nn(CCOc3ccccc3)c3ccccc23)n1.
What is the InChIKey of tert-butyl N-[[5-[1-(2-phenoxyethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]carbamate?
The InChIKey is CFOOMLACDVPTGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O4/c1-23(2,3)31-22(29)24-15-19-25-21(32-27-19)20-17-11-7-8-12-18(17)28(26-20)13-14-30-16-9-5-4-6-10-16/h4-12H,13-15H2,1-3H3,(H,24,29).
What are the key properties of tert-butyl N-[[5-[1-(2-phenoxyethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]carbamate?
tert-butyl N-[[5-[1-(2-phenoxyethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]carbamate has a molecular weight of 435.48 g/mol, XLogP of 4.19, 7 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-(2-phenoxyethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]carbamate is sourced from PubChem (CID 42637279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).