5-(2-chloroethyl)-N-(2-chlorophenyl)-1,3,4-oxadiazol-2-amine

C10H9Cl2N3O — CID 106956442

IUPAC5-(2-chloroethyl)-N-(2-chlorophenyl)-1,3,4-oxadiazol-2-amine
SMILESClCCc1nnc(Nc2ccccc2Cl)o1
InChIInChI=1S/C10H9Cl2N3O/c11-6-5-9-14-15-10(16-9)13-8-4-2-1-3-7(8)12/h1-4H,5-6H2,(H,13,15)
InChIKeyMHPBAXVHXHJWJK-UHFFFAOYSA-N
MW258.11 g/mol
LogP3.25
Rot. Bonds4

About 5-(2-chloroethyl)-N-(2-chlorophenyl)-1,3,4-oxadiazol-2-amine

5-(2-chloroethyl)-N-(2-chlorophenyl)-1,3,4-oxadiazol-2-amine (PubChem CID 106956442) has the molecular formula C10H9Cl2N3O and a molecular weight of 258.11 g/mol. Its IUPAC name is 5-(2-chloroethyl)-N-(2-chlorophenyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(2-chloroethyl)-N-(2-chlorophenyl)-1,3,4-oxadiazol-2-amine
PubChem CID106956442
Molecular FormulaC10H9Cl2N3O
Molecular Weight258.11 g/mol
Exact Mass257.01
IUPAC Name5-(2-chloroethyl)-N-(2-chlorophenyl)-1,3,4-oxadiazol-2-amine
SMILESClCCc1nnc(Nc2ccccc2Cl)o1
InChIInChI=1S/C10H9Cl2N3O/c11-6-5-9-14-15-10(16-9)13-8-4-2-1-3-7(8)12/h1-4H,5-6H2,(H,13,15)
InChIKeyMHPBAXVHXHJWJK-UHFFFAOYSA-N
XLogP3.25
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.11
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

5-(2-chloroethyl)-N-(2,3-dichlorophenyl)-1,3,4-oxadiazol-2-amine
CID 106959162
5-(2-chloroethyl)-N-(2-iodophenyl)-1,3,4-oxadiazol-2-amine
CID 106959118
N-(2-bromophenyl)-5-(2-chloroethyl)-1,3,4-oxadiazol-2-amine
CID 106956430
N-(4-bromo-2-chlorophenyl)-5-(2-chloroethyl)-1,3,4-oxadiazol-2-amine
CID 106956559
N-(2-bromo-3-methylphenyl)-5-(2-chloroethyl)-1,3,4-oxadiazol-2-amine
CID 106958287
N-(2-bromophenyl)-5-(chloromethyl)-1,3,4-oxadiazol-2-amine
CID 106956428
5-(chloromethyl)-N-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-amine
CID 106958967
5-(2-chloroethyl)-N-[2-fluoro-5-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine
CID 106957638
5-(2-chloroethyl)-N-(3-ethyl-4-methylphenyl)-1,3,4-oxadiazol-2-amine
CID 114250926
N-(2,3-dichlorophenyl)-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106967190
4-[[5-(2-chloroethyl)-1,3,4-oxadiazol-2-yl]amino]benzoic acid
CID 110456314
5-(2-chloroethyl)-N-[(2-ethylphenyl)methyl]-1,3,4-oxadiazol-2-amine
CID 106957914

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloroethyl)-N-(2-chlorophenyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(2-chloroethyl)-N-(2-chlorophenyl)-1,3,4-oxadiazol-2-amine (CID 106956442) is 5-(2-chloroethyl)-N-(2-chlorophenyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(2-chloroethyl)-N-(2-chlorophenyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(2-chloroethyl)-N-(2-chlorophenyl)-1,3,4-oxadiazol-2-amine is ClCCc1nnc(Nc2ccccc2Cl)o1.
What is the InChIKey of 5-(2-chloroethyl)-N-(2-chlorophenyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is MHPBAXVHXHJWJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2N3O/c11-6-5-9-14-15-10(16-9)13-8-4-2-1-3-7(8)12/h1-4H,5-6H2,(H,13,15).
What are the key properties of 5-(2-chloroethyl)-N-(2-chlorophenyl)-1,3,4-oxadiazol-2-amine?
5-(2-chloroethyl)-N-(2-chlorophenyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 258.11 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloroethyl)-N-(2-chlorophenyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106956442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).