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

C13H15Cl2N3O — CID 62162718

IUPACN-[1-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1nnc(-c2cc(Cl)cc(Cl)c2)o1
InChIInChI=1S/C13H15Cl2N3O/c1-3-4-16-8(2)12-17-18-13(19-12)9-5-10(14)7-11(15)6-9/h5-8,16H,3-4H2,1-2H3
InChIKeyADKKLEFNDLEDDO-UHFFFAOYSA-N
MW300.19 g/mol
LogP4.10
Rot. Bonds5

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

N-[1-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine (PubChem CID 62162718) has the molecular formula C13H15Cl2N3O and a molecular weight of 300.19 g/mol. Its IUPAC name is N-[1-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine
PubChem CID62162718
Molecular FormulaC13H15Cl2N3O
Molecular Weight300.19 g/mol
Exact Mass299.06
IUPAC NameN-[1-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1nnc(-c2cc(Cl)cc(Cl)c2)o1
InChIInChI=1S/C13H15Cl2N3O/c1-3-4-16-8(2)12-17-18-13(19-12)9-5-10(14)7-11(15)6-9/h5-8,16H,3-4H2,1-2H3
InChIKeyADKKLEFNDLEDDO-UHFFFAOYSA-N
XLogP4.10
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.19
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[5-(4-fluoro-3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine
CID 81284443
N-[1-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)ethyl]propan-1-amine
CID 62163410
3-[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]benzonitrile
CID 55039801
1-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-N-ethylethanamine
CID 62163232
1-[5-(3-chloro-4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-ethylethanamine
CID 63195183
N-[1-[5-(3-fluoro-4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine
CID 62921410
N-[1-[5-(2,6-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine
CID 62163060
N-[1-[5-(3-methylfuran-2-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine
CID 62164794
1-[5-(3,5-dibromophenyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
CID 107981062
1-[5-(3,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]-N-ethylethanamine
CID 62164275
N-[1-[5-[(3-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine
CID 62229836
N-(2,5-dichlorophenyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106966196

Frequently Asked Questions

What is the IUPAC name of N-[1-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine (CID 62162718) is N-[1-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine is CCCNC(C)c1nnc(-c2cc(Cl)cc(Cl)c2)o1.
What is the InChIKey of N-[1-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine?
The InChIKey is ADKKLEFNDLEDDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2N3O/c1-3-4-16-8(2)12-17-18-13(19-12)9-5-10(14)7-11(15)6-9/h5-8,16H,3-4H2,1-2H3.
What are the key properties of N-[1-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine?
N-[1-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine has a molecular weight of 300.19 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine is sourced from PubChem (CID 62162718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).