[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl-methylazanium

C10H11ClN3O+ — CID 7385191

IUPAC[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl-methylazanium
SMILESC[NH2+]Cc1nc(-c2ccc(Cl)cc2)no1
InChIInChI=1S/C10H10ClN3O/c1-12-6-9-13-10(14-15-9)7-2-4-8(11)5-3-7/h2-5,12H,6H2,1H3/p+1
InChIKeyXBNSBMHHMZZPGB-UHFFFAOYSA-O
MW224.67 g/mol
LogP1.08
Rot. Bonds3

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

[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl-methylazanium (PubChem CID 7385191) has the molecular formula C10H11ClN3O+ and a molecular weight of 224.67 g/mol. Its IUPAC name is [3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl-methylazanium.

Molecular Properties

Compound Name[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl-methylazanium
PubChem CID7385191
Molecular FormulaC10H11ClN3O+
Molecular Weight224.67 g/mol
Exact Mass224.06
IUPAC Name[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl-methylazanium
SMILESC[NH2+]Cc1nc(-c2ccc(Cl)cc2)no1
InChIInChI=1S/C10H10ClN3O/c1-12-6-9-13-10(14-15-9)7-2-4-8(11)5-3-7/h2-5,12H,6H2,1H3/p+1
InChIKeyXBNSBMHHMZZPGB-UHFFFAOYSA-O
XLogP1.08
TPSA55.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.67
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(bromomethyl)-3-(4-chlorophenyl)-1,2,4-oxadiazole
CID 59402660
2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]acetonitrile
CID 16779790
3-(4-chlorophenyl)-5-pentadecyl-1,2,4-oxadiazole
CID 24848734
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]methanesulfonamide
CID 4899070
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanenitrile
CID 106523544
3-(4-chlorophenyl)-5-(2-phenylethyl)-1,2,4-oxadiazole
CID 874863
4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]butan-1-ol
CID 79191177
3-(4-chlorophenyl)-5-methyl-1,2,4-oxadiazole
CID 684002
5-[(4-chlorophenyl)methyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 888655
1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]butan-2-amine
CID 66231056
5-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pentan-2-one
CID 58335940
4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]benzene-1,2-diol
CID 122189976

Frequently Asked Questions

What is the IUPAC name of [3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl-methylazanium?
The IUPAC name of [3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl-methylazanium (CID 7385191) is [3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl-methylazanium.
What is the SMILES notation for [3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl-methylazanium?
The canonical SMILES for [3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl-methylazanium is C[NH2+]Cc1nc(-c2ccc(Cl)cc2)no1.
What is the InChIKey of [3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl-methylazanium?
The InChIKey is XBNSBMHHMZZPGB-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H10ClN3O/c1-12-6-9-13-10(14-15-9)7-2-4-8(11)5-3-7/h2-5,12H,6H2,1H3/p+1.
What are the key properties of [3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl-methylazanium?
[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl-methylazanium has a molecular weight of 224.67 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl-methylazanium is sourced from PubChem (CID 7385191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).