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

C10H17F2N3O2 — CID 107485077

IUPAC2-[2,2-difluoroethyl-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]amino]ethanol
SMILESCCCc1noc(CN(CCO)CC(F)F)n1
InChIInChI=1S/C10H17F2N3O2/c1-2-3-9-13-10(17-14-9)7-15(4-5-16)6-8(11)12/h8,16H,2-7H2,1H3
InChIKeyOYFKXAULPMYYPX-UHFFFAOYSA-N
MW249.26 g/mol
LogP1.08
Rot. Bonds8

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

2-[2,2-difluoroethyl-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]amino]ethanol (PubChem CID 107485077) has the molecular formula C10H17F2N3O2 and a molecular weight of 249.26 g/mol. Its IUPAC name is 2-[2,2-difluoroethyl-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]amino]ethanol.

Molecular Properties

Compound Name2-[2,2-difluoroethyl-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]amino]ethanol
PubChem CID107485077
Molecular FormulaC10H17F2N3O2
Molecular Weight249.26 g/mol
Exact Mass249.13
IUPAC Name2-[2,2-difluoroethyl-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]amino]ethanol
SMILESCCCc1noc(CN(CCO)CC(F)F)n1
InChIInChI=1S/C10H17F2N3O2/c1-2-3-9-13-10(17-14-9)7-15(4-5-16)6-8(11)12/h8,16H,2-7H2,1H3
InChIKeyOYFKXAULPMYYPX-UHFFFAOYSA-N
XLogP1.08
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.26
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2,2-difluoroethyl-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]amino]ethanol?
The IUPAC name of 2-[2,2-difluoroethyl-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]amino]ethanol (CID 107485077) is 2-[2,2-difluoroethyl-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]amino]ethanol.
What is the SMILES notation for 2-[2,2-difluoroethyl-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]amino]ethanol?
The canonical SMILES for 2-[2,2-difluoroethyl-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]amino]ethanol is CCCc1noc(CN(CCO)CC(F)F)n1.
What is the InChIKey of 2-[2,2-difluoroethyl-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]amino]ethanol?
The InChIKey is OYFKXAULPMYYPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2N3O2/c1-2-3-9-13-10(17-14-9)7-15(4-5-16)6-8(11)12/h8,16H,2-7H2,1H3.
What are the key properties of 2-[2,2-difluoroethyl-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]amino]ethanol?
2-[2,2-difluoroethyl-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]amino]ethanol has a molecular weight of 249.26 g/mol, XLogP of 1.08, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-difluoroethyl-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]amino]ethanol is sourced from PubChem (CID 107485077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).