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

C14H25F2N3O2 — CID 103151073

IUPAC3-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-N-propylpentan-2-amine
SMILESCCCNC(C)C(CC)c1nc(CCOCC(F)F)no1
InChIInChI=1S/C14H25F2N3O2/c1-4-7-17-10(3)11(5-2)14-18-13(19-21-14)6-8-20-9-12(15)16/h10-12,17H,4-9H2,1-3H3
InChIKeySDJIYGCZRUFKPL-UHFFFAOYSA-N
MW305.37 g/mol
LogP2.78
Rot. Bonds11

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

3-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-N-propylpentan-2-amine (PubChem CID 103151073) has the molecular formula C14H25F2N3O2 and a molecular weight of 305.37 g/mol. Its IUPAC name is 3-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-N-propylpentan-2-amine.

Molecular Properties

Compound Name3-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-N-propylpentan-2-amine
PubChem CID103151073
Molecular FormulaC14H25F2N3O2
Molecular Weight305.37 g/mol
Exact Mass305.19
IUPAC Name3-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-N-propylpentan-2-amine
SMILESCCCNC(C)C(CC)c1nc(CCOCC(F)F)no1
InChIInChI=1S/C14H25F2N3O2/c1-4-7-17-10(3)11(5-2)14-18-13(19-21-14)6-8-20-9-12(15)16/h10-12,17H,4-9H2,1-3H3
InChIKeySDJIYGCZRUFKPL-UHFFFAOYSA-N
XLogP2.78
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 52.78
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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Related Compounds

2-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-N-methylpentan-3-amine
CID 103151066
N-propyl-3-[3-(propylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 65134533
3-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-2-amine
CID 63350067
5-(diethoxymethyl)-3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazole
CID 103150936
3-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]butan-2-one
CID 103150940
3-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-2-amine
CID 116733136
3-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]-N-propylbutan-2-amine
CID 63350881
4-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-N-ethylbutan-2-amine
CID 103151056
N-[1-[5-[2-(2,2-difluoroethoxy)ethyl]-1,3-oxazol-2-yl]ethyl]propan-1-amine
CID 103213190
3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-2-amine
CID 63347982
3-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-2-amine
CID 79713030
5-[chloro(phenyl)methyl]-3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazole
CID 103145864

Frequently Asked Questions

What is the IUPAC name of 3-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-N-propylpentan-2-amine?
The IUPAC name of 3-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-N-propylpentan-2-amine (CID 103151073) is 3-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-N-propylpentan-2-amine.
What is the SMILES notation for 3-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-N-propylpentan-2-amine?
The canonical SMILES for 3-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-N-propylpentan-2-amine is CCCNC(C)C(CC)c1nc(CCOCC(F)F)no1.
What is the InChIKey of 3-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-N-propylpentan-2-amine?
The InChIKey is SDJIYGCZRUFKPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F2N3O2/c1-4-7-17-10(3)11(5-2)14-18-13(19-21-14)6-8-20-9-12(15)16/h10-12,17H,4-9H2,1-3H3.
What are the key properties of 3-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-N-propylpentan-2-amine?
3-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-N-propylpentan-2-amine has a molecular weight of 305.37 g/mol, XLogP of 2.78, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-N-propylpentan-2-amine is sourced from PubChem (CID 103151073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).