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

C11H19F3N4O2 — CID 107495569

IUPAC2-[[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]-(2,2,2-trifluoroethyl)amino]ethanol
SMILESCCCNC(C)c1nnc(N(CCO)CC(F)(F)F)o1
InChIInChI=1S/C11H19F3N4O2/c1-3-4-15-8(2)9-16-17-10(20-9)18(5-6-19)7-11(12,13)14/h8,15,19H,3-7H2,1-2H3
InChIKeyITRCRISFDSCHLG-UHFFFAOYSA-N
MW296.29 g/mol
LogP1.49
Rot. Bonds8

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

2-[[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]-(2,2,2-trifluoroethyl)amino]ethanol (PubChem CID 107495569) has the molecular formula C11H19F3N4O2 and a molecular weight of 296.29 g/mol. Its IUPAC name is 2-[[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]-(2,2,2-trifluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]-(2,2,2-trifluoroethyl)amino]ethanol
PubChem CID107495569
Molecular FormulaC11H19F3N4O2
Molecular Weight296.29 g/mol
Exact Mass296.15
IUPAC Name2-[[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]-(2,2,2-trifluoroethyl)amino]ethanol
SMILESCCCNC(C)c1nnc(N(CCO)CC(F)(F)F)o1
InChIInChI=1S/C11H19F3N4O2/c1-3-4-15-8(2)9-16-17-10(20-9)18(5-6-19)7-11(12,13)14/h8,15,19H,3-7H2,1-2H3
InChIKeyITRCRISFDSCHLG-UHFFFAOYSA-N
XLogP1.49
TPSA74.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.29
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

2-[[5-(1-chloroethyl)-1,3,4-oxadiazol-2-yl]-(2,2,2-trifluoroethyl)amino]ethanol
CID 107495556
2-[[5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-yl]-methylamino]ethanol
CID 106969645
2-[benzyl-[5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]ethanol
CID 106960309
2-[ethyl-[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]-N,N-dimethylacetamide
CID 106971179
5-[1-(propylamino)ethyl]-N-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-amine
CID 106967102
N-methyl-N-pentan-2-yl-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106969331
5-[(2-methylpropylamino)methyl]-N-propyl-N-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-amine
CID 106969917
2-[butyl-[5-(1-chloroethyl)-1,3,4-oxadiazol-2-yl]amino]ethanol
CID 106956989
N-ethyl-N-(1-methoxypropan-2-yl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106969951
5-[(2-methoxyethylamino)methyl]-N-propyl-N-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-amine
CID 106969915
2-[methyl-[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]cyclohexan-1-ol
CID 106965820
N-cycloheptyl-N-methyl-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106969352

Frequently Asked Questions

What is the IUPAC name of 2-[[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]-(2,2,2-trifluoroethyl)amino]ethanol?
The IUPAC name of 2-[[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]-(2,2,2-trifluoroethyl)amino]ethanol (CID 107495569) is 2-[[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]-(2,2,2-trifluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]-(2,2,2-trifluoroethyl)amino]ethanol?
The canonical SMILES for 2-[[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]-(2,2,2-trifluoroethyl)amino]ethanol is CCCNC(C)c1nnc(N(CCO)CC(F)(F)F)o1.
What is the InChIKey of 2-[[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]-(2,2,2-trifluoroethyl)amino]ethanol?
The InChIKey is ITRCRISFDSCHLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N4O2/c1-3-4-15-8(2)9-16-17-10(20-9)18(5-6-19)7-11(12,13)14/h8,15,19H,3-7H2,1-2H3.
What are the key properties of 2-[[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]-(2,2,2-trifluoroethyl)amino]ethanol?
2-[[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]-(2,2,2-trifluoroethyl)amino]ethanol has a molecular weight of 296.29 g/mol, XLogP of 1.49, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]-(2,2,2-trifluoroethyl)amino]ethanol is sourced from PubChem (CID 107495569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).