3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-(2,2,2-trifluoroethyl)amino]propan-1-ol

C14H15ClF3N3O2 — CID 111022284

IUPAC3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-(2,2,2-trifluoroethyl)amino]propan-1-ol
SMILESOCCCN(Cc1nnc(-c2ccc(Cl)cc2)o1)CC(F)(F)F
InChIInChI=1S/C14H15ClF3N3O2/c15-11-4-2-10(3-5-11)13-20-19-12(23-13)8-21(6-1-7-22)9-14(16,17)18/h2-5,22H,1,6-9H2
InChIKeyAXKUUPYHTYTLRM-UHFFFAOYSA-N
MW349.74 g/mol
LogP3.14
Rot. Bonds7

About 3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-(2,2,2-trifluoroethyl)amino]propan-1-ol

3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-(2,2,2-trifluoroethyl)amino]propan-1-ol (PubChem CID 111022284) has the molecular formula C14H15ClF3N3O2 and a molecular weight of 349.74 g/mol. Its IUPAC name is 3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-(2,2,2-trifluoroethyl)amino]propan-1-ol.

Molecular Properties

Compound Name3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-(2,2,2-trifluoroethyl)amino]propan-1-ol
PubChem CID111022284
Molecular FormulaC14H15ClF3N3O2
Molecular Weight349.74 g/mol
Exact Mass349.08
IUPAC Name3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-(2,2,2-trifluoroethyl)amino]propan-1-ol
SMILESOCCCN(Cc1nnc(-c2ccc(Cl)cc2)o1)CC(F)(F)F
InChIInChI=1S/C14H15ClF3N3O2/c15-11-4-2-10(3-5-11)13-20-19-12(23-13)8-21(6-1-7-22)9-14(16,17)18/h2-5,22H,1,6-9H2
InChIKeyAXKUUPYHTYTLRM-UHFFFAOYSA-N
XLogP3.14
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.74
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-(2,2,2-trifluoroethyl)amino]propan-1-ol with MolForge

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Related Compounds

4-[5-[[3-hydroxypropyl(2,2,2-trifluoroethyl)amino]methyl]-1,3,4-oxadiazol-2-yl]benzonitrile
CID 111487964
3-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl-(2,2,2-trifluoroethyl)amino]propan-1-ol
CID 111109909
2-[butyl-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]amino]ethanol
CID 60689039
3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-(2,2,2-trifluoroethyl)amino]propan-1-ol
CID 111022255
3-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl-ethylamino]propan-1-ol
CID 115669583
2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-(2,2,2-trifluoroethyl)amino]ethanol
CID 103856814
3-[(6-fluoro-1,3-benzoxazol-2-yl)methyl-(2,2,2-trifluoroethyl)amino]propan-1-ol
CID 71920619
2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol
CID 103856771
methyl 3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]propanoate
CID 62013028
2-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl-(2,2-difluoroethyl)amino]ethanol
CID 107485432
2-(2-chloroethyl)-5-(4-chlorophenyl)-1,3,4-oxadiazole
CID 39347323
N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-(furan-2-ylmethyl)-1-phenylmethanamine
CID 51171811

Frequently Asked Questions

What is the IUPAC name of 3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-(2,2,2-trifluoroethyl)amino]propan-1-ol?
The IUPAC name of 3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-(2,2,2-trifluoroethyl)amino]propan-1-ol (CID 111022284) is 3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-(2,2,2-trifluoroethyl)amino]propan-1-ol.
What is the SMILES notation for 3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-(2,2,2-trifluoroethyl)amino]propan-1-ol?
The canonical SMILES for 3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-(2,2,2-trifluoroethyl)amino]propan-1-ol is OCCCN(Cc1nnc(-c2ccc(Cl)cc2)o1)CC(F)(F)F.
What is the InChIKey of 3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-(2,2,2-trifluoroethyl)amino]propan-1-ol?
The InChIKey is AXKUUPYHTYTLRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClF3N3O2/c15-11-4-2-10(3-5-11)13-20-19-12(23-13)8-21(6-1-7-22)9-14(16,17)18/h2-5,22H,1,6-9H2.
What are the key properties of 3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-(2,2,2-trifluoroethyl)amino]propan-1-ol?
3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-(2,2,2-trifluoroethyl)amino]propan-1-ol has a molecular weight of 349.74 g/mol, XLogP of 3.14, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-(2,2,2-trifluoroethyl)amino]propan-1-ol is sourced from PubChem (CID 111022284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).