2-[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine

C11H12ClN3O — CID 12551367

IUPAC2-[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine
SMILESCNCCc1noc(-c2ccccc2Cl)n1
InChIInChI=1S/C11H12ClN3O/c1-13-7-6-10-14-11(16-15-10)8-4-2-3-5-9(8)12/h2-5,13H,6-7H2,1H3
InChIKeyYRZMGVNRUPMCQF-UHFFFAOYSA-N
MW237.69 g/mol
LogP2.15
Rot. Bonds4

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

2-[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine (PubChem CID 12551367) has the molecular formula C11H12ClN3O and a molecular weight of 237.69 g/mol. Its IUPAC name is 2-[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine.

Molecular Properties

Compound Name2-[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine
PubChem CID12551367
Molecular FormulaC11H12ClN3O
Molecular Weight237.69 g/mol
Exact Mass237.07
IUPAC Name2-[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine
SMILESCNCCc1noc(-c2ccccc2Cl)n1
InChIInChI=1S/C11H12ClN3O/c1-13-7-6-10-14-11(16-15-10)8-4-2-3-5-9(8)12/h2-5,13H,6-7H2,1H3
InChIKeyYRZMGVNRUPMCQF-UHFFFAOYSA-N
XLogP2.15
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.69
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-2-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 25220757
5-(2-chlorophenyl)-3-propyl-1,2,4-oxadiazole
CID 869984
2-[5-(2-iodophenyl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine
CID 62344085
2-[5-(4-chloro-2,5-difluorophenyl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine
CID 82773184
2-[3-[3-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]phenol
CID 137002850
5-(2-chlorophenyl)-3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazole
CID 874813
5-(2-chlorophenyl)-3-methyl-1,2,4-oxadiazole
CID 30469663
N-methyl-2-[5-(2,3,4-trifluorophenyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 79755402
2-[5-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine
CID 82879699
N-methyl-2-[2-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine
CID 104548430
N-methyl-3-[5-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 115079341
2-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine
CID 25220755

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine?
The IUPAC name of 2-[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine (CID 12551367) is 2-[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine.
What is the SMILES notation for 2-[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine?
The canonical SMILES for 2-[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine is CNCCc1noc(-c2ccccc2Cl)n1.
What is the InChIKey of 2-[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine?
The InChIKey is YRZMGVNRUPMCQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O/c1-13-7-6-10-14-11(16-15-10)8-4-2-3-5-9(8)12/h2-5,13H,6-7H2,1H3.
What are the key properties of 2-[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine?
2-[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine has a molecular weight of 237.69 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine is sourced from PubChem (CID 12551367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).