[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methanamine

C9H7Cl2N3O — CID 23008067

IUPAC[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methanamine
SMILESNCc1nc(-c2ccc(Cl)cc2Cl)no1
InChIInChI=1S/C9H7Cl2N3O/c10-5-1-2-6(7(11)3-5)9-13-8(4-12)15-14-9/h1-3H,4,12H2
InChIKeyHOZBPQPWWKIFIJ-UHFFFAOYSA-N
MW244.08 g/mol
LogP2.50
Rot. Bonds2

About [3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methanamine

[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methanamine (PubChem CID 23008067) has the molecular formula C9H7Cl2N3O and a molecular weight of 244.08 g/mol. Its IUPAC name is [3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methanamine.

Molecular Properties

Compound Name[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methanamine
PubChem CID23008067
Molecular FormulaC9H7Cl2N3O
Molecular Weight244.08 g/mol
Exact Mass243.00
IUPAC Name[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methanamine
SMILESNCc1nc(-c2ccc(Cl)cc2Cl)no1
InChIInChI=1S/C9H7Cl2N3O/c10-5-1-2-6(7(11)3-5)9-13-8(4-12)15-14-9/h1-3H,4,12H2
InChIKeyHOZBPQPWWKIFIJ-UHFFFAOYSA-N
XLogP2.50
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.08
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methanamine?
The IUPAC name of [3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methanamine (CID 23008067) is [3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methanamine.
What is the SMILES notation for [3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methanamine?
The canonical SMILES for [3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methanamine is NCc1nc(-c2ccc(Cl)cc2Cl)no1.
What is the InChIKey of [3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methanamine?
The InChIKey is HOZBPQPWWKIFIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Cl2N3O/c10-5-1-2-6(7(11)3-5)9-13-8(4-12)15-14-9/h1-3H,4,12H2.
What are the key properties of [3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methanamine?
[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methanamine has a molecular weight of 244.08 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methanamine is sourced from PubChem (CID 23008067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).