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

C11H18F3N3O2 — CID 111109935

IUPAC3-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl-(2,2,2-trifluoroethyl)amino]propan-1-ol
SMILESCC(C)c1nc(CN(CCCO)CC(F)(F)F)no1
InChIInChI=1S/C11H18F3N3O2/c1-8(2)10-15-9(16-19-10)6-17(4-3-5-18)7-11(12,13)14/h8,18H,3-7H2,1-2H3
InChIKeySXMSBVUQAPDZEX-UHFFFAOYSA-N
MW281.28 g/mol
LogP1.94
Rot. Bonds7

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

3-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl-(2,2,2-trifluoroethyl)amino]propan-1-ol (PubChem CID 111109935) has the molecular formula C11H18F3N3O2 and a molecular weight of 281.28 g/mol. Its IUPAC name is 3-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl-(2,2,2-trifluoroethyl)amino]propan-1-ol.

Molecular Properties

Compound Name3-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl-(2,2,2-trifluoroethyl)amino]propan-1-ol
PubChem CID111109935
Molecular FormulaC11H18F3N3O2
Molecular Weight281.28 g/mol
Exact Mass281.14
IUPAC Name3-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl-(2,2,2-trifluoroethyl)amino]propan-1-ol
SMILESCC(C)c1nc(CN(CCCO)CC(F)(F)F)no1
InChIInChI=1S/C11H18F3N3O2/c1-8(2)10-15-9(16-19-10)6-17(4-3-5-18)7-11(12,13)14/h8,18H,3-7H2,1-2H3
InChIKeySXMSBVUQAPDZEX-UHFFFAOYSA-N
XLogP1.94
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl-(2,2,2-trifluoroethyl)amino]propan-1-ol?
The IUPAC name of 3-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl-(2,2,2-trifluoroethyl)amino]propan-1-ol (CID 111109935) is 3-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl-(2,2,2-trifluoroethyl)amino]propan-1-ol.
What is the SMILES notation for 3-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl-(2,2,2-trifluoroethyl)amino]propan-1-ol?
The canonical SMILES for 3-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl-(2,2,2-trifluoroethyl)amino]propan-1-ol is CC(C)c1nc(CN(CCCO)CC(F)(F)F)no1.
What is the InChIKey of 3-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl-(2,2,2-trifluoroethyl)amino]propan-1-ol?
The InChIKey is SXMSBVUQAPDZEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N3O2/c1-8(2)10-15-9(16-19-10)6-17(4-3-5-18)7-11(12,13)14/h8,18H,3-7H2,1-2H3.
What are the key properties of 3-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl-(2,2,2-trifluoroethyl)amino]propan-1-ol?
3-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl-(2,2,2-trifluoroethyl)amino]propan-1-ol has a molecular weight of 281.28 g/mol, XLogP of 1.94, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl-(2,2,2-trifluoroethyl)amino]propan-1-ol is sourced from PubChem (CID 111109935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).