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

C10H16F3N3O2 — CID 111022255

IUPAC3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-(2,2,2-trifluoroethyl)amino]propan-1-ol
SMILESCCc1nnc(CN(CCCO)CC(F)(F)F)o1
InChIInChI=1S/C10H16F3N3O2/c1-2-8-14-15-9(18-8)6-16(4-3-5-17)7-10(11,12)13/h17H,2-7H2,1H3
InChIKeyMHHKGFJIVDJUCM-UHFFFAOYSA-N
MW267.25 g/mol
LogP1.38
Rot. Bonds7

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

3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-(2,2,2-trifluoroethyl)amino]propan-1-ol (PubChem CID 111022255) has the molecular formula C10H16F3N3O2 and a molecular weight of 267.25 g/mol. Its IUPAC name is 3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-(2,2,2-trifluoroethyl)amino]propan-1-ol.

Molecular Properties

Compound Name3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-(2,2,2-trifluoroethyl)amino]propan-1-ol
PubChem CID111022255
Molecular FormulaC10H16F3N3O2
Molecular Weight267.25 g/mol
Exact Mass267.12
IUPAC Name3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-(2,2,2-trifluoroethyl)amino]propan-1-ol
SMILESCCc1nnc(CN(CCCO)CC(F)(F)F)o1
InChIInChI=1S/C10H16F3N3O2/c1-2-8-14-15-9(18-8)6-16(4-3-5-17)7-10(11,12)13/h17H,2-7H2,1H3
InChIKeyMHHKGFJIVDJUCM-UHFFFAOYSA-N
XLogP1.38
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-(2,2,2-trifluoroethyl)amino]propan-1-ol?
The IUPAC name of 3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-(2,2,2-trifluoroethyl)amino]propan-1-ol (CID 111022255) is 3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-(2,2,2-trifluoroethyl)amino]propan-1-ol.
What is the SMILES notation for 3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-(2,2,2-trifluoroethyl)amino]propan-1-ol?
The canonical SMILES for 3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-(2,2,2-trifluoroethyl)amino]propan-1-ol is CCc1nnc(CN(CCCO)CC(F)(F)F)o1.
What is the InChIKey of 3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-(2,2,2-trifluoroethyl)amino]propan-1-ol?
The InChIKey is MHHKGFJIVDJUCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N3O2/c1-2-8-14-15-9(18-8)6-16(4-3-5-17)7-10(11,12)13/h17H,2-7H2,1H3.
What are the key properties of 3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-(2,2,2-trifluoroethyl)amino]propan-1-ol?
3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-(2,2,2-trifluoroethyl)amino]propan-1-ol has a molecular weight of 267.25 g/mol, XLogP of 1.38, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-(2,2,2-trifluoroethyl)amino]propan-1-ol is sourced from PubChem (CID 111022255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).