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

C10H9BrClN3O — CID 106956430

IUPACN-(2-bromophenyl)-5-(2-chloroethyl)-1,3,4-oxadiazol-2-amine
SMILESClCCc1nnc(Nc2ccccc2Br)o1
InChIInChI=1S/C10H9BrClN3O/c11-7-3-1-2-4-8(7)13-10-15-14-9(16-10)5-6-12/h1-4H,5-6H2,(H,13,15)
InChIKeyPJQRDVBJHUCCNP-UHFFFAOYSA-N
MW302.56 g/mol
LogP3.36
Rot. Bonds4

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

N-(2-bromophenyl)-5-(2-chloroethyl)-1,3,4-oxadiazol-2-amine (PubChem CID 106956430) has the molecular formula C10H9BrClN3O and a molecular weight of 302.56 g/mol. Its IUPAC name is N-(2-bromophenyl)-5-(2-chloroethyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-(2-bromophenyl)-5-(2-chloroethyl)-1,3,4-oxadiazol-2-amine
PubChem CID106956430
Molecular FormulaC10H9BrClN3O
Molecular Weight302.56 g/mol
Exact Mass300.96
IUPAC NameN-(2-bromophenyl)-5-(2-chloroethyl)-1,3,4-oxadiazol-2-amine
SMILESClCCc1nnc(Nc2ccccc2Br)o1
InChIInChI=1S/C10H9BrClN3O/c11-7-3-1-2-4-8(7)13-10-15-14-9(16-10)5-6-12/h1-4H,5-6H2,(H,13,15)
InChIKeyPJQRDVBJHUCCNP-UHFFFAOYSA-N
XLogP3.36
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.56
LogP ≤ 53.36
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-(2-bromophenyl)-5-(chloromethyl)-1,3,4-oxadiazol-2-amine
CID 106956428
5-(2-chloroethyl)-N-(2-chlorophenyl)-1,3,4-oxadiazol-2-amine
CID 106956442
5-(2-chloroethyl)-N-(2-iodophenyl)-1,3,4-oxadiazol-2-amine
CID 106959118
N-(2-bromo-3-methylphenyl)-5-(2-chloroethyl)-1,3,4-oxadiazol-2-amine
CID 106958287
5-(2-chloroethyl)-N-(2,3-dichlorophenyl)-1,3,4-oxadiazol-2-amine
CID 106959162
N-(2-bromophenyl)-5-(ethylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106968069
N-(5-bromo-2-fluorophenyl)-5-(2-chloroethyl)-1,3,4-oxadiazol-2-amine
CID 106956705
N-(4-bromo-2-chlorophenyl)-5-(2-chloroethyl)-1,3,4-oxadiazol-2-amine
CID 106956559
N-(2-bromophenyl)-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106968057
2-N-(2-bromophenyl)-1,3,4-oxadiazole-2,5-diamine
CID 103436573
N-(4-bromo-3,5-dimethylphenyl)-5-(2-chloroethyl)-1,3,4-oxadiazol-2-amine
CID 107581526
5-(2-chloroethyl)-N-[2-fluoro-5-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine
CID 106957638

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-5-(2-chloroethyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-(2-bromophenyl)-5-(2-chloroethyl)-1,3,4-oxadiazol-2-amine (CID 106956430) is N-(2-bromophenyl)-5-(2-chloroethyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-(2-bromophenyl)-5-(2-chloroethyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-(2-bromophenyl)-5-(2-chloroethyl)-1,3,4-oxadiazol-2-amine is ClCCc1nnc(Nc2ccccc2Br)o1.
What is the InChIKey of N-(2-bromophenyl)-5-(2-chloroethyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is PJQRDVBJHUCCNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrClN3O/c11-7-3-1-2-4-8(7)13-10-15-14-9(16-10)5-6-12/h1-4H,5-6H2,(H,13,15).
What are the key properties of N-(2-bromophenyl)-5-(2-chloroethyl)-1,3,4-oxadiazol-2-amine?
N-(2-bromophenyl)-5-(2-chloroethyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 302.56 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-5-(2-chloroethyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106956430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).