N-[[5-[2-(2,2-difluoroethoxy)ethyl]-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine

C10H17F2N3O2 — CID 103211969

IUPACN-[[5-[2-(2,2-difluoroethoxy)ethyl]-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine
SMILESCCCNCc1nnc(CCOCC(F)F)o1
InChIInChI=1S/C10H17F2N3O2/c1-2-4-13-6-10-15-14-9(17-10)3-5-16-7-8(11)12/h8,13H,2-7H2,1H3
InChIKeyZMXNTVGFSRTDEF-UHFFFAOYSA-N
MW249.26 g/mol
LogP1.39
Rot. Bonds9

About N-[[5-[2-(2,2-difluoroethoxy)ethyl]-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine

N-[[5-[2-(2,2-difluoroethoxy)ethyl]-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine (PubChem CID 103211969) has the molecular formula C10H17F2N3O2 and a molecular weight of 249.26 g/mol. Its IUPAC name is N-[[5-[2-(2,2-difluoroethoxy)ethyl]-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[5-[2-(2,2-difluoroethoxy)ethyl]-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine
PubChem CID103211969
Molecular FormulaC10H17F2N3O2
Molecular Weight249.26 g/mol
Exact Mass249.13
IUPAC NameN-[[5-[2-(2,2-difluoroethoxy)ethyl]-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine
SMILESCCCNCc1nnc(CCOCC(F)F)o1
InChIInChI=1S/C10H17F2N3O2/c1-2-4-13-6-10-15-14-9(17-10)3-5-16-7-8(11)12/h8,13H,2-7H2,1H3
InChIKeyZMXNTVGFSRTDEF-UHFFFAOYSA-N
XLogP1.39
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.26
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[5-[2-(2,2-difluoroethoxy)ethyl]-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[5-[2-(2,2-difluoroethoxy)ethyl]-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine (CID 103211969) is N-[[5-[2-(2,2-difluoroethoxy)ethyl]-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[5-[2-(2,2-difluoroethoxy)ethyl]-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[5-[2-(2,2-difluoroethoxy)ethyl]-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine is CCCNCc1nnc(CCOCC(F)F)o1.
What is the InChIKey of N-[[5-[2-(2,2-difluoroethoxy)ethyl]-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine?
The InChIKey is ZMXNTVGFSRTDEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2N3O2/c1-2-4-13-6-10-15-14-9(17-10)3-5-16-7-8(11)12/h8,13H,2-7H2,1H3.
What are the key properties of N-[[5-[2-(2,2-difluoroethoxy)ethyl]-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine?
N-[[5-[2-(2,2-difluoroethoxy)ethyl]-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine has a molecular weight of 249.26 g/mol, XLogP of 1.39, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[2-(2,2-difluoroethoxy)ethyl]-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 103211969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).