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

C11H19F2N3O2 — CID 103146320

IUPAC(1S)-1-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine
SMILESCC(C)(C)[C@H](N)c1nc(CCOCC(F)F)no1
InChIInChI=1S/C11H19F2N3O2/c1-11(2,3)9(14)10-15-8(16-18-10)4-5-17-6-7(12)13/h7,9H,4-6,14H2,1-3H3/t9-/m1/s1
InChIKeyDZPCCKWGUVMIDG-SECBINFHSA-N
MW263.29 g/mol
LogP1.94
Rot. Bonds6

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

(1S)-1-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine (PubChem CID 103146320) has the molecular formula C11H19F2N3O2 and a molecular weight of 263.29 g/mol. Its IUPAC name is (1S)-1-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name(1S)-1-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine
PubChem CID103146320
Molecular FormulaC11H19F2N3O2
Molecular Weight263.29 g/mol
Exact Mass263.14
IUPAC Name(1S)-1-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine
SMILESCC(C)(C)[C@H](N)c1nc(CCOCC(F)F)no1
InChIInChI=1S/C11H19F2N3O2/c1-11(2,3)9(14)10-15-8(16-18-10)4-5-17-6-7(12)13/h7,9H,4-6,14H2,1-3H3/t9-/m1/s1
InChIKeyDZPCCKWGUVMIDG-SECBINFHSA-N
XLogP1.94
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 51.94
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 (1S)-1-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine?
The IUPAC name of (1S)-1-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine (CID 103146320) is (1S)-1-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine.
What is the SMILES notation for (1S)-1-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine?
The canonical SMILES for (1S)-1-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine is CC(C)(C)[C@H](N)c1nc(CCOCC(F)F)no1.
What is the InChIKey of (1S)-1-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine?
The InChIKey is DZPCCKWGUVMIDG-SECBINFHSA-N. The full InChI is InChI=1S/C11H19F2N3O2/c1-11(2,3)9(14)10-15-8(16-18-10)4-5-17-6-7(12)13/h7,9H,4-6,14H2,1-3H3/t9-/m1/s1.
What are the key properties of (1S)-1-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine?
(1S)-1-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine has a molecular weight of 263.29 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine is sourced from PubChem (CID 103146320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).