2-[[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl-(2,2,2-trifluoroethyl)amino]ethanol

C11H11BrF3N3O2S — CID 103864976

IUPAC2-[[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl-(2,2,2-trifluoroethyl)amino]ethanol
SMILESOCCN(Cc1nnc(-c2ccc(Br)s2)o1)CC(F)(F)F
InChIInChI=1S/C11H11BrF3N3O2S/c12-8-2-1-7(21-8)10-17-16-9(20-10)5-18(3-4-19)6-11(13,14)15/h1-2,19H,3-6H2
InChIKeyLDEMFGVRAUIJQN-UHFFFAOYSA-N
MW386.19 g/mol
LogP2.92
Rot. Bonds6

About 2-[[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl-(2,2,2-trifluoroethyl)amino]ethanol

2-[[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl-(2,2,2-trifluoroethyl)amino]ethanol (PubChem CID 103864976) has the molecular formula C11H11BrF3N3O2S and a molecular weight of 386.19 g/mol. Its IUPAC name is 2-[[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl-(2,2,2-trifluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl-(2,2,2-trifluoroethyl)amino]ethanol
PubChem CID103864976
Molecular FormulaC11H11BrF3N3O2S
Molecular Weight386.19 g/mol
Exact Mass384.97
IUPAC Name2-[[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl-(2,2,2-trifluoroethyl)amino]ethanol
SMILESOCCN(Cc1nnc(-c2ccc(Br)s2)o1)CC(F)(F)F
InChIInChI=1S/C11H11BrF3N3O2S/c12-8-2-1-7(21-8)10-17-16-9(20-10)5-18(3-4-19)6-11(13,14)15/h1-2,19H,3-6H2
InChIKeyLDEMFGVRAUIJQN-UHFFFAOYSA-N
XLogP2.92
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.19
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl-(2,2,2-trifluoroethyl)amino]ethanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl-(2,2,2-trifluoroethyl)amino]ethanol?
The IUPAC name of 2-[[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl-(2,2,2-trifluoroethyl)amino]ethanol (CID 103864976) is 2-[[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl-(2,2,2-trifluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl-(2,2,2-trifluoroethyl)amino]ethanol?
The canonical SMILES for 2-[[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl-(2,2,2-trifluoroethyl)amino]ethanol is OCCN(Cc1nnc(-c2ccc(Br)s2)o1)CC(F)(F)F.
What is the InChIKey of 2-[[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl-(2,2,2-trifluoroethyl)amino]ethanol?
The InChIKey is LDEMFGVRAUIJQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrF3N3O2S/c12-8-2-1-7(21-8)10-17-16-9(20-10)5-18(3-4-19)6-11(13,14)15/h1-2,19H,3-6H2.
What are the key properties of 2-[[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl-(2,2,2-trifluoroethyl)amino]ethanol?
2-[[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl-(2,2,2-trifluoroethyl)amino]ethanol has a molecular weight of 386.19 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl-(2,2,2-trifluoroethyl)amino]ethanol is sourced from PubChem (CID 103864976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).