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

C15H20ClN3O2 — CID 62228746

IUPAC1-[5-[1-(3-chlorophenoxy)ethyl]-1,2,4-oxadiazol-3-yl]-2,2-dimethylpropan-1-amine
SMILESCC(Oc1cccc(Cl)c1)c1nc(C(N)C(C)(C)C)no1
InChIInChI=1S/C15H20ClN3O2/c1-9(20-11-7-5-6-10(16)8-11)14-18-13(19-21-14)12(17)15(2,3)4/h5-9,12H,17H2,1-4H3
InChIKeyCGCHKNUJIJWFHU-UHFFFAOYSA-N
MW309.80 g/mol
LogP3.91
Rot. Bonds4

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

1-[5-[1-(3-chlorophenoxy)ethyl]-1,2,4-oxadiazol-3-yl]-2,2-dimethylpropan-1-amine (PubChem CID 62228746) has the molecular formula C15H20ClN3O2 and a molecular weight of 309.80 g/mol. Its IUPAC name is 1-[5-[1-(3-chlorophenoxy)ethyl]-1,2,4-oxadiazol-3-yl]-2,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name1-[5-[1-(3-chlorophenoxy)ethyl]-1,2,4-oxadiazol-3-yl]-2,2-dimethylpropan-1-amine
PubChem CID62228746
Molecular FormulaC15H20ClN3O2
Molecular Weight309.80 g/mol
Exact Mass309.12
IUPAC Name1-[5-[1-(3-chlorophenoxy)ethyl]-1,2,4-oxadiazol-3-yl]-2,2-dimethylpropan-1-amine
SMILESCC(Oc1cccc(Cl)c1)c1nc(C(N)C(C)(C)C)no1
InChIInChI=1S/C15H20ClN3O2/c1-9(20-11-7-5-6-10(16)8-11)14-18-13(19-21-14)12(17)15(2,3)4/h5-9,12H,17H2,1-4H3
InChIKeyCGCHKNUJIJWFHU-UHFFFAOYSA-N
XLogP3.91
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.80
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[1-(3-chlorophenoxy)ethyl]-1,2,4-oxadiazol-3-yl]-2,2-dimethylpropan-1-amine?
The IUPAC name of 1-[5-[1-(3-chlorophenoxy)ethyl]-1,2,4-oxadiazol-3-yl]-2,2-dimethylpropan-1-amine (CID 62228746) is 1-[5-[1-(3-chlorophenoxy)ethyl]-1,2,4-oxadiazol-3-yl]-2,2-dimethylpropan-1-amine.
What is the SMILES notation for 1-[5-[1-(3-chlorophenoxy)ethyl]-1,2,4-oxadiazol-3-yl]-2,2-dimethylpropan-1-amine?
The canonical SMILES for 1-[5-[1-(3-chlorophenoxy)ethyl]-1,2,4-oxadiazol-3-yl]-2,2-dimethylpropan-1-amine is CC(Oc1cccc(Cl)c1)c1nc(C(N)C(C)(C)C)no1.
What is the InChIKey of 1-[5-[1-(3-chlorophenoxy)ethyl]-1,2,4-oxadiazol-3-yl]-2,2-dimethylpropan-1-amine?
The InChIKey is CGCHKNUJIJWFHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O2/c1-9(20-11-7-5-6-10(16)8-11)14-18-13(19-21-14)12(17)15(2,3)4/h5-9,12H,17H2,1-4H3.
What are the key properties of 1-[5-[1-(3-chlorophenoxy)ethyl]-1,2,4-oxadiazol-3-yl]-2,2-dimethylpropan-1-amine?
1-[5-[1-(3-chlorophenoxy)ethyl]-1,2,4-oxadiazol-3-yl]-2,2-dimethylpropan-1-amine has a molecular weight of 309.80 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[1-(3-chlorophenoxy)ethyl]-1,2,4-oxadiazol-3-yl]-2,2-dimethylpropan-1-amine is sourced from PubChem (CID 62228746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).