2-[5-(3,5-dichlorophenyl)-1,2,4-oxadiazol-3-yl]-1-ethoxypropan-2-amine

C13H15Cl2N3O2 — CID 104636799

IUPAC2-[5-(3,5-dichlorophenyl)-1,2,4-oxadiazol-3-yl]-1-ethoxypropan-2-amine
SMILESCCOCC(C)(N)c1noc(-c2cc(Cl)cc(Cl)c2)n1
InChIInChI=1S/C13H15Cl2N3O2/c1-3-19-7-13(2,16)12-17-11(20-18-12)8-4-9(14)6-10(15)5-8/h4-6H,3,7,16H2,1-2H3
InChIKeyVUQFQSJHKLZHFA-UHFFFAOYSA-N
MW316.19 g/mol
LogP3.25
Rot. Bonds5

About 2-[5-(3,5-dichlorophenyl)-1,2,4-oxadiazol-3-yl]-1-ethoxypropan-2-amine

2-[5-(3,5-dichlorophenyl)-1,2,4-oxadiazol-3-yl]-1-ethoxypropan-2-amine (PubChem CID 104636799) has the molecular formula C13H15Cl2N3O2 and a molecular weight of 316.19 g/mol. Its IUPAC name is 2-[5-(3,5-dichlorophenyl)-1,2,4-oxadiazol-3-yl]-1-ethoxypropan-2-amine.

Molecular Properties

Compound Name2-[5-(3,5-dichlorophenyl)-1,2,4-oxadiazol-3-yl]-1-ethoxypropan-2-amine
PubChem CID104636799
Molecular FormulaC13H15Cl2N3O2
Molecular Weight316.19 g/mol
Exact Mass315.05
IUPAC Name2-[5-(3,5-dichlorophenyl)-1,2,4-oxadiazol-3-yl]-1-ethoxypropan-2-amine
SMILESCCOCC(C)(N)c1noc(-c2cc(Cl)cc(Cl)c2)n1
InChIInChI=1S/C13H15Cl2N3O2/c1-3-19-7-13(2,16)12-17-11(20-18-12)8-4-9(14)6-10(15)5-8/h4-6H,3,7,16H2,1-2H3
InChIKeyVUQFQSJHKLZHFA-UHFFFAOYSA-N
XLogP3.25
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.19
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethoxy-2-(5-pyrimidin-5-yl-1,2,4-oxadiazol-3-yl)propan-2-amine
CID 102922612
1-ethoxy-2-[5-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 104636768
4-[3-(2-amino-1-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-N,N-dimethylaniline
CID 104636619
1-ethoxy-2-[5-[5-(methoxymethyl)-1,2-oxazol-3-yl]-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 104636665
2-[5-(3-chloro-4-methylphenyl)-1,2,4-oxadiazol-3-yl]-1-propoxypropan-2-amine
CID 104637045
1-ethoxy-2-[5-(2-ethylphenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 104636821
2-[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]-1-propan-2-yloxypropan-2-amine
CID 104637351
2-[5-(5-methylfuran-3-yl)-1,2,4-oxadiazol-3-yl]-1-propoxypropan-2-amine
CID 114822781
2-[5-[(3-chlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-1-ethoxypropan-2-amine
CID 104636885
2-[5-(5-fluoro-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-1-propoxypropan-2-amine
CID 104786458
2-[5-(3-chloro-5-methylphenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 81325124
2-[5-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-3-yl]-1-propoxypropan-2-amine
CID 104637043

Frequently Asked Questions

What is the IUPAC name of 2-[5-(3,5-dichlorophenyl)-1,2,4-oxadiazol-3-yl]-1-ethoxypropan-2-amine?
The IUPAC name of 2-[5-(3,5-dichlorophenyl)-1,2,4-oxadiazol-3-yl]-1-ethoxypropan-2-amine (CID 104636799) is 2-[5-(3,5-dichlorophenyl)-1,2,4-oxadiazol-3-yl]-1-ethoxypropan-2-amine.
What is the SMILES notation for 2-[5-(3,5-dichlorophenyl)-1,2,4-oxadiazol-3-yl]-1-ethoxypropan-2-amine?
The canonical SMILES for 2-[5-(3,5-dichlorophenyl)-1,2,4-oxadiazol-3-yl]-1-ethoxypropan-2-amine is CCOCC(C)(N)c1noc(-c2cc(Cl)cc(Cl)c2)n1.
What is the InChIKey of 2-[5-(3,5-dichlorophenyl)-1,2,4-oxadiazol-3-yl]-1-ethoxypropan-2-amine?
The InChIKey is VUQFQSJHKLZHFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2N3O2/c1-3-19-7-13(2,16)12-17-11(20-18-12)8-4-9(14)6-10(15)5-8/h4-6H,3,7,16H2,1-2H3.
What are the key properties of 2-[5-(3,5-dichlorophenyl)-1,2,4-oxadiazol-3-yl]-1-ethoxypropan-2-amine?
2-[5-(3,5-dichlorophenyl)-1,2,4-oxadiazol-3-yl]-1-ethoxypropan-2-amine has a molecular weight of 316.19 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3,5-dichlorophenyl)-1,2,4-oxadiazol-3-yl]-1-ethoxypropan-2-amine is sourced from PubChem (CID 104636799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).