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

C14H25F2N3O2 — CID 103151068

IUPAC1-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-N-ethyl-3,3-dimethylbutan-2-amine
SMILESCCNC(Cc1nc(CCOCC(F)F)no1)C(C)(C)C
InChIInChI=1S/C14H25F2N3O2/c1-5-17-10(14(2,3)4)8-13-18-12(19-21-13)6-7-20-9-11(15)16/h10-11,17H,5-9H2,1-4H3
InChIKeyNVAORVGBKQQGCY-UHFFFAOYSA-N
MW305.37 g/mol
LogP2.46
Rot. Bonds9

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

1-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-N-ethyl-3,3-dimethylbutan-2-amine (PubChem CID 103151068) has the molecular formula C14H25F2N3O2 and a molecular weight of 305.37 g/mol. Its IUPAC name is 1-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-N-ethyl-3,3-dimethylbutan-2-amine.

Molecular Properties

Compound Name1-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-N-ethyl-3,3-dimethylbutan-2-amine
PubChem CID103151068
Molecular FormulaC14H25F2N3O2
Molecular Weight305.37 g/mol
Exact Mass305.19
IUPAC Name1-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-N-ethyl-3,3-dimethylbutan-2-amine
SMILESCCNC(Cc1nc(CCOCC(F)F)no1)C(C)(C)C
InChIInChI=1S/C14H25F2N3O2/c1-5-17-10(14(2,3)4)8-13-18-12(19-21-13)6-7-20-9-11(15)16/h10-11,17H,5-9H2,1-4H3
InChIKeyNVAORVGBKQQGCY-UHFFFAOYSA-N
XLogP2.46
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 52.46
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 1-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-N-ethyl-3,3-dimethylbutan-2-amine?
The IUPAC name of 1-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-N-ethyl-3,3-dimethylbutan-2-amine (CID 103151068) is 1-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-N-ethyl-3,3-dimethylbutan-2-amine.
What is the SMILES notation for 1-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-N-ethyl-3,3-dimethylbutan-2-amine?
The canonical SMILES for 1-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-N-ethyl-3,3-dimethylbutan-2-amine is CCNC(Cc1nc(CCOCC(F)F)no1)C(C)(C)C.
What is the InChIKey of 1-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-N-ethyl-3,3-dimethylbutan-2-amine?
The InChIKey is NVAORVGBKQQGCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F2N3O2/c1-5-17-10(14(2,3)4)8-13-18-12(19-21-13)6-7-20-9-11(15)16/h10-11,17H,5-9H2,1-4H3.
What are the key properties of 1-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-N-ethyl-3,3-dimethylbutan-2-amine?
1-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-N-ethyl-3,3-dimethylbutan-2-amine has a molecular weight of 305.37 g/mol, XLogP of 2.46, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-N-ethyl-3,3-dimethylbutan-2-amine is sourced from PubChem (CID 103151068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).