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

C10H8BrCl2N3O — CID 106956558

IUPACN-(4-bromo-2-chlorophenyl)-5-(1-chloroethyl)-1,3,4-oxadiazol-2-amine
SMILESCC(Cl)c1nnc(Nc2ccc(Br)cc2Cl)o1
InChIInChI=1S/C10H8BrCl2N3O/c1-5(12)9-15-16-10(17-9)14-8-3-2-6(11)4-7(8)13/h2-5H,1H3,(H,14,16)
InChIKeyPVBLUPCZGPFKBW-UHFFFAOYSA-N
MW337.00 g/mol
LogP4.53
Rot. Bonds3

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

N-(4-bromo-2-chlorophenyl)-5-(1-chloroethyl)-1,3,4-oxadiazol-2-amine (PubChem CID 106956558) has the molecular formula C10H8BrCl2N3O and a molecular weight of 337.00 g/mol. Its IUPAC name is N-(4-bromo-2-chlorophenyl)-5-(1-chloroethyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-(4-bromo-2-chlorophenyl)-5-(1-chloroethyl)-1,3,4-oxadiazol-2-amine
PubChem CID106956558
Molecular FormulaC10H8BrCl2N3O
Molecular Weight337.00 g/mol
Exact Mass334.92
IUPAC NameN-(4-bromo-2-chlorophenyl)-5-(1-chloroethyl)-1,3,4-oxadiazol-2-amine
SMILESCC(Cl)c1nnc(Nc2ccc(Br)cc2Cl)o1
InChIInChI=1S/C10H8BrCl2N3O/c1-5(12)9-15-16-10(17-9)14-8-3-2-6(11)4-7(8)13/h2-5H,1H3,(H,14,16)
InChIKeyPVBLUPCZGPFKBW-UHFFFAOYSA-N
XLogP4.53
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.00
LogP ≤ 54.53
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-(4-bromo-2-fluorophenyl)-5-(1-chloroethyl)-1,3,4-oxadiazol-2-amine
CID 106959002
5-(1-chloroethyl)-N-(2-chloro-4-iodophenyl)-1,3,4-oxadiazol-2-amine
CID 107605220
N-(2-bromo-5-methylphenyl)-5-(1-chloroethyl)-1,3,4-oxadiazol-2-amine
CID 106958341
5-(1-chloroethyl)-N-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-amine
CID 106956414
5-(1-chloroethyl)-N-(3-chloro-2-methylphenyl)-1,3,4-oxadiazol-2-amine
CID 106958965
N-(4-bromo-2-chlorophenyl)-5-(2-chloroethyl)-1,3,4-oxadiazol-2-amine
CID 106956559
N-(4-bromo-2-chlorophenyl)-5-[(tert-butylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106968579
5-(1-aminoethyl)-N-(4-bromo-2,3-dichlorophenyl)-1,3,4-oxadiazol-2-amine
CID 107795977
N-(2,4-dichlorophenyl)-5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106966444
5-(1-chloroethyl)-N-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-amine
CID 106959040
5-(1-aminoethyl)-N-(2-bromo-3-chlorophenyl)-1,3,4-oxadiazol-2-amine
CID 106967337
5-(1-chloroethyl)-N-(2,3-difluorophenyl)-1,3,4-oxadiazol-2-amine
CID 106956850

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-chlorophenyl)-5-(1-chloroethyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-(4-bromo-2-chlorophenyl)-5-(1-chloroethyl)-1,3,4-oxadiazol-2-amine (CID 106956558) is N-(4-bromo-2-chlorophenyl)-5-(1-chloroethyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-(4-bromo-2-chlorophenyl)-5-(1-chloroethyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-(4-bromo-2-chlorophenyl)-5-(1-chloroethyl)-1,3,4-oxadiazol-2-amine is CC(Cl)c1nnc(Nc2ccc(Br)cc2Cl)o1.
What is the InChIKey of N-(4-bromo-2-chlorophenyl)-5-(1-chloroethyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is PVBLUPCZGPFKBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrCl2N3O/c1-5(12)9-15-16-10(17-9)14-8-3-2-6(11)4-7(8)13/h2-5H,1H3,(H,14,16).
What are the key properties of N-(4-bromo-2-chlorophenyl)-5-(1-chloroethyl)-1,3,4-oxadiazol-2-amine?
N-(4-bromo-2-chlorophenyl)-5-(1-chloroethyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 337.00 g/mol, XLogP of 4.53, 3 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-(1-chloroethyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106956558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).