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

C13H14BrF2N3O2 — CID 107485432

IUPAC2-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl-(2,2-difluoroethyl)amino]ethanol
SMILESOCCN(Cc1nnc(-c2ccc(Br)cc2)o1)CC(F)F
InChIInChI=1S/C13H14BrF2N3O2/c14-10-3-1-9(2-4-10)13-18-17-12(21-13)8-19(5-6-20)7-11(15)16/h1-4,11,20H,5-8H2
InChIKeyQAOFTUMACGPCJW-UHFFFAOYSA-N
MW362.17 g/mol
LogP2.56
Rot. Bonds7

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

2-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl-(2,2-difluoroethyl)amino]ethanol (PubChem CID 107485432) has the molecular formula C13H14BrF2N3O2 and a molecular weight of 362.17 g/mol. Its IUPAC name is 2-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl-(2,2-difluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl-(2,2-difluoroethyl)amino]ethanol
PubChem CID107485432
Molecular FormulaC13H14BrF2N3O2
Molecular Weight362.17 g/mol
Exact Mass361.02
IUPAC Name2-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl-(2,2-difluoroethyl)amino]ethanol
SMILESOCCN(Cc1nnc(-c2ccc(Br)cc2)o1)CC(F)F
InChIInChI=1S/C13H14BrF2N3O2/c14-10-3-1-9(2-4-10)13-18-17-12(21-13)8-19(5-6-20)7-11(15)16/h1-4,11,20H,5-8H2
InChIKeyQAOFTUMACGPCJW-UHFFFAOYSA-N
XLogP2.56
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.17
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

3-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl-ethylamino]propan-1-ol
CID 115669583
2-[(4-bromophenyl)methyl-(2,2-difluoroethyl)amino]ethanol
CID 107484838
2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl-(2,2-difluoroethyl)amino]ethanol
CID 107485716
1-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]-3-methoxypropan-2-ol
CID 62016169
2-[butyl-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]amino]ethanol
CID 60689039
2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl-prop-2-enylamino]ethanol
CID 111423799
N'-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N'-methylethane-1,2-diamine
CID 62687008
2-[2,2-difluoroethyl-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]amino]ethanol
CID 107485496
[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methanethiol
CID 82160182
3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-(2,2,2-trifluoroethyl)amino]propan-1-ol
CID 111022284
2-[cyclobutyl-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]amino]ethanol
CID 102676985
4-[5-[[3-hydroxypropyl(2,2,2-trifluoroethyl)amino]methyl]-1,3,4-oxadiazol-2-yl]benzonitrile
CID 111487964

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl-(2,2-difluoroethyl)amino]ethanol?
The IUPAC name of 2-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl-(2,2-difluoroethyl)amino]ethanol (CID 107485432) is 2-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl-(2,2-difluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl-(2,2-difluoroethyl)amino]ethanol?
The canonical SMILES for 2-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl-(2,2-difluoroethyl)amino]ethanol is OCCN(Cc1nnc(-c2ccc(Br)cc2)o1)CC(F)F.
What is the InChIKey of 2-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl-(2,2-difluoroethyl)amino]ethanol?
The InChIKey is QAOFTUMACGPCJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrF2N3O2/c14-10-3-1-9(2-4-10)13-18-17-12(21-13)8-19(5-6-20)7-11(15)16/h1-4,11,20H,5-8H2.
What are the key properties of 2-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl-(2,2-difluoroethyl)amino]ethanol?
2-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl-(2,2-difluoroethyl)amino]ethanol has a molecular weight of 362.17 g/mol, XLogP of 2.56, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl-(2,2-difluoroethyl)amino]ethanol is sourced from PubChem (CID 107485432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).