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

C19H20ClN3O — CID 26326386

IUPACN-benzyl-N-[[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]ethanamine
SMILESCCN(Cc1ccccc1)Cc1nc(Cc2ccccc2Cl)no1
InChIInChI=1S/C19H20ClN3O/c1-2-23(13-15-8-4-3-5-9-15)14-19-21-18(22-24-19)12-16-10-6-7-11-17(16)20/h3-11H,2,12-14H2,1H3
InChIKeyWFFZBBASJOAUKA-UHFFFAOYSA-N
MW341.84 g/mol
LogP4.34
Rot. Bonds7

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

N-benzyl-N-[[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]ethanamine (PubChem CID 26326386) has the molecular formula C19H20ClN3O and a molecular weight of 341.84 g/mol. Its IUPAC name is N-benzyl-N-[[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-benzyl-N-[[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]ethanamine
PubChem CID26326386
Molecular FormulaC19H20ClN3O
Molecular Weight341.84 g/mol
Exact Mass341.13
IUPAC NameN-benzyl-N-[[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]ethanamine
SMILESCCN(Cc1ccccc1)Cc1nc(Cc2ccccc2Cl)no1
InChIInChI=1S/C19H20ClN3O/c1-2-23(13-15-8-4-3-5-9-15)14-19-21-18(22-24-19)12-16-10-6-7-11-17(16)20/h3-11H,2,12-14H2,1H3
InChIKeyWFFZBBASJOAUKA-UHFFFAOYSA-N
XLogP4.34
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.84
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]ethanamine?
The IUPAC name of N-benzyl-N-[[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]ethanamine (CID 26326386) is N-benzyl-N-[[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]ethanamine.
What is the SMILES notation for N-benzyl-N-[[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]ethanamine?
The canonical SMILES for N-benzyl-N-[[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]ethanamine is CCN(Cc1ccccc1)Cc1nc(Cc2ccccc2Cl)no1.
What is the InChIKey of N-benzyl-N-[[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]ethanamine?
The InChIKey is WFFZBBASJOAUKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O/c1-2-23(13-15-8-4-3-5-9-15)14-19-21-18(22-24-19)12-16-10-6-7-11-17(16)20/h3-11H,2,12-14H2,1H3.
What are the key properties of N-benzyl-N-[[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]ethanamine?
N-benzyl-N-[[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]ethanamine has a molecular weight of 341.84 g/mol, XLogP of 4.34, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 26326386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).