[4-(4-[1,2,3]Triazol-1-yl-butyl)-phenyl]-[2-(5-trifluoromethoxy-1H-indol-2-yl)-oxazol-4-ylmethyl]-carbamic acid tert-butyl ester

HCID 136331972

Basic information

Standard SMILES
CC(C)(C)OC(=O)N(Cc1coc(-c2cc3cc(OC(F)(F)F)ccc3[nH]2)n1)c1ccc(CCCCn2ccnn2)cc1
InChIKey
MBGXJPPBSMSBBQ-UHFFFAOYSA-N
Molecular formula
C30H31F3N6O4
Average molar mass
596.6 g/mol

Names & identifiers

Preferred name
[4-(4-[1,2,3]Triazol-1-yl-butyl)-phenyl]-[2-(5-trifluoromethoxy-1H-indol-2-yl)-oxazol-4-ylmethyl]-carbamic acid tert-butyl ester
IUPAC
tert-butyl N-[4-[4-(triazol-1-yl)butyl]phenyl]-N-[[2-[5-(trifluoromethoxy)-1H-indol-2-yl]-1,3-oxazol-4-yl]methyl]carbamate

Names & synonyms

[4-(4-[1,2,3]Triazol-1-yl-butyl)-phenyl]-[2-(5-trifluoromethoxy-1H-indol-2-yl)-oxazol-4-ylmethyl]-carbamic acid tert-butyl esterSCHEMBL4861704BKRSYQDXJIAYCC-UHFFFAOYSA-N

Database identifiers

PubChem CID
136331972

Properties

Computed structural properties

XLogP
6
Topological polar surface area
111 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
10
Rotatable bonds
12
Heavy atoms
43

Related reactions

4 records

Compound notes

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