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

C15H19Cl2N3O — CID 78848057

IUPACN-[(3,4-dichlorophenyl)methyl]-N-methyl-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethanamine
SMILESCC(C)c1noc(C(C)N(C)Cc2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C15H19Cl2N3O/c1-9(2)14-18-15(21-19-14)10(3)20(4)8-11-5-6-12(16)13(17)7-11/h5-7,9-10H,8H2,1-4H3
InChIKeyJWTJVBWMWDQCFJ-UHFFFAOYSA-N
MW328.24 g/mol
LogP4.69
Rot. Bonds5

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

N-[(3,4-dichlorophenyl)methyl]-N-methyl-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethanamine (PubChem CID 78848057) has the molecular formula C15H19Cl2N3O and a molecular weight of 328.24 g/mol. Its IUPAC name is N-[(3,4-dichlorophenyl)methyl]-N-methyl-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethanamine.

Molecular Properties

Compound NameN-[(3,4-dichlorophenyl)methyl]-N-methyl-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethanamine
PubChem CID78848057
Molecular FormulaC15H19Cl2N3O
Molecular Weight328.24 g/mol
Exact Mass327.09
IUPAC NameN-[(3,4-dichlorophenyl)methyl]-N-methyl-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethanamine
SMILESCC(C)c1noc(C(C)N(C)Cc2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C15H19Cl2N3O/c1-9(2)14-18-15(21-19-14)10(3)20(4)8-11-5-6-12(16)13(17)7-11/h5-7,9-10H,8H2,1-4H3
InChIKeyJWTJVBWMWDQCFJ-UHFFFAOYSA-N
XLogP4.69
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.24
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dichlorophenyl)methyl]-N-methyl-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethanamine?
The IUPAC name of N-[(3,4-dichlorophenyl)methyl]-N-methyl-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethanamine (CID 78848057) is N-[(3,4-dichlorophenyl)methyl]-N-methyl-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethanamine.
What is the SMILES notation for N-[(3,4-dichlorophenyl)methyl]-N-methyl-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethanamine?
The canonical SMILES for N-[(3,4-dichlorophenyl)methyl]-N-methyl-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethanamine is CC(C)c1noc(C(C)N(C)Cc2ccc(Cl)c(Cl)c2)n1.
What is the InChIKey of N-[(3,4-dichlorophenyl)methyl]-N-methyl-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethanamine?
The InChIKey is JWTJVBWMWDQCFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2N3O/c1-9(2)14-18-15(21-19-14)10(3)20(4)8-11-5-6-12(16)13(17)7-11/h5-7,9-10H,8H2,1-4H3.
What are the key properties of N-[(3,4-dichlorophenyl)methyl]-N-methyl-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethanamine?
N-[(3,4-dichlorophenyl)methyl]-N-methyl-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethanamine has a molecular weight of 328.24 g/mol, XLogP of 4.69, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dichlorophenyl)methyl]-N-methyl-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethanamine is sourced from PubChem (CID 78848057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).