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

C10H8BrCl2N3O — CID 106956559

IUPACN-(4-bromo-2-chlorophenyl)-5-(2-chloroethyl)-1,3,4-oxadiazol-2-amine
SMILESClCCc1nnc(Nc2ccc(Br)cc2Cl)o1
InChIInChI=1S/C10H8BrCl2N3O/c11-6-1-2-8(7(13)5-6)14-10-16-15-9(17-10)3-4-12/h1-2,5H,3-4H2,(H,14,16)
InChIKeyLHFXQHBACBBMGY-UHFFFAOYSA-N
MW337.00 g/mol
LogP4.01
Rot. Bonds4

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

N-(4-bromo-2-chlorophenyl)-5-(2-chloroethyl)-1,3,4-oxadiazol-2-amine (PubChem CID 106956559) has the molecular formula C10H8BrCl2N3O and a molecular weight of 337.00 g/mol. Its IUPAC name is N-(4-bromo-2-chlorophenyl)-5-(2-chloroethyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-(4-bromo-2-chlorophenyl)-5-(2-chloroethyl)-1,3,4-oxadiazol-2-amine
PubChem CID106956559
Molecular FormulaC10H8BrCl2N3O
Molecular Weight337.00 g/mol
Exact Mass334.92
IUPAC NameN-(4-bromo-2-chlorophenyl)-5-(2-chloroethyl)-1,3,4-oxadiazol-2-amine
SMILESClCCc1nnc(Nc2ccc(Br)cc2Cl)o1
InChIInChI=1S/C10H8BrCl2N3O/c11-6-1-2-8(7(13)5-6)14-10-16-15-9(17-10)3-4-12/h1-2,5H,3-4H2,(H,14,16)
InChIKeyLHFXQHBACBBMGY-UHFFFAOYSA-N
XLogP4.01
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.00
LogP ≤ 54.01
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

N-(5-bromo-2-fluorophenyl)-5-(2-chloroethyl)-1,3,4-oxadiazol-2-amine
CID 106956705
5-(2-chloroethyl)-N-(2-chlorophenyl)-1,3,4-oxadiazol-2-amine
CID 106956442
N-(4-bromo-2-chlorophenyl)-5-[(tert-butylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106968579
5-(2-chloroethyl)-N-(2,3-dichlorophenyl)-1,3,4-oxadiazol-2-amine
CID 106959162
5-(chloromethyl)-N-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-amine
CID 106958967
N-(4-bromo-2-chlorophenyl)-5-(1-chloroethyl)-1,3,4-oxadiazol-2-amine
CID 106956558
N-(2-bromo-3-methylphenyl)-5-(2-chloroethyl)-1,3,4-oxadiazol-2-amine
CID 106958287
N-(4-bromo-3,5-dimethylphenyl)-5-(2-chloroethyl)-1,3,4-oxadiazol-2-amine
CID 107581526
N-(5-bromo-2-chlorophenyl)-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106960704
5-(2-chloroethyl)-N-[2-fluoro-5-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine
CID 106957638
N-[(4-bromothiophen-2-yl)methyl]-5-(2-chloroethyl)-1,3,4-oxadiazol-2-amine
CID 106957991
5-(2-chloroethyl)-N-(3-ethyl-4-methylphenyl)-1,3,4-oxadiazol-2-amine
CID 114250926

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-chlorophenyl)-5-(2-chloroethyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-(4-bromo-2-chlorophenyl)-5-(2-chloroethyl)-1,3,4-oxadiazol-2-amine (CID 106956559) is N-(4-bromo-2-chlorophenyl)-5-(2-chloroethyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-(4-bromo-2-chlorophenyl)-5-(2-chloroethyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-(4-bromo-2-chlorophenyl)-5-(2-chloroethyl)-1,3,4-oxadiazol-2-amine is ClCCc1nnc(Nc2ccc(Br)cc2Cl)o1.
What is the InChIKey of N-(4-bromo-2-chlorophenyl)-5-(2-chloroethyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is LHFXQHBACBBMGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrCl2N3O/c11-6-1-2-8(7(13)5-6)14-10-16-15-9(17-10)3-4-12/h1-2,5H,3-4H2,(H,14,16).
What are the key properties of N-(4-bromo-2-chlorophenyl)-5-(2-chloroethyl)-1,3,4-oxadiazol-2-amine?
N-(4-bromo-2-chlorophenyl)-5-(2-chloroethyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 337.00 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-chlorophenyl)-5-(2-chloroethyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106956559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).