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

C10H10BrClN4O — CID 106967337

IUPAC5-(1-aminoethyl)-N-(2-bromo-3-chlorophenyl)-1,3,4-oxadiazol-2-amine
SMILESCC(N)c1nnc(Nc2cccc(Cl)c2Br)o1
InChIInChI=1S/C10H10BrClN4O/c1-5(13)9-15-16-10(17-9)14-7-4-2-3-6(12)8(7)11/h2-5H,13H2,1H3,(H,14,16)
InChIKeyNSRZAYWVIZZFSU-UHFFFAOYSA-N
MW317.57 g/mol
LogP3.25
Rot. Bonds3

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

5-(1-aminoethyl)-N-(2-bromo-3-chlorophenyl)-1,3,4-oxadiazol-2-amine (PubChem CID 106967337) has the molecular formula C10H10BrClN4O and a molecular weight of 317.57 g/mol. Its IUPAC name is 5-(1-aminoethyl)-N-(2-bromo-3-chlorophenyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(1-aminoethyl)-N-(2-bromo-3-chlorophenyl)-1,3,4-oxadiazol-2-amine
PubChem CID106967337
Molecular FormulaC10H10BrClN4O
Molecular Weight317.57 g/mol
Exact Mass315.97
IUPAC Name5-(1-aminoethyl)-N-(2-bromo-3-chlorophenyl)-1,3,4-oxadiazol-2-amine
SMILESCC(N)c1nnc(Nc2cccc(Cl)c2Br)o1
InChIInChI=1S/C10H10BrClN4O/c1-5(13)9-15-16-10(17-9)14-7-4-2-3-6(12)8(7)11/h2-5H,13H2,1H3,(H,14,16)
InChIKeyNSRZAYWVIZZFSU-UHFFFAOYSA-N
XLogP3.25
TPSA76.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.57
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-(1-aminoethyl)-N-(2-bromo-3-chlorophenyl)-1,3,4-oxadiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(1-aminoethyl)-N-(4-bromo-2,3-dichlorophenyl)-1,3,4-oxadiazol-2-amine
CID 107795977
5-(1-chloroethyl)-N-(3-chloro-2-methylphenyl)-1,3,4-oxadiazol-2-amine
CID 106958965
5-(1-aminoethyl)-N-(3-fluoro-2-methylphenyl)-1,3,4-oxadiazol-2-amine
CID 106969926
5-(1-aminoethyl)-N-(3-methylphenyl)-1,3,4-oxadiazol-2-amine
CID 106967977
5-(1-aminoethyl)-N-phenyl-1,3,4-oxadiazol-2-amine
CID 103846511
5-(1-aminoethyl)-N-[2-(difluoromethoxy)phenyl]-1,3,4-oxadiazol-2-amine
CID 106968528
N-(4-bromo-2-chlorophenyl)-5-(1-chloroethyl)-1,3,4-oxadiazol-2-amine
CID 106956558
5-(1-aminoethyl)-N-[(2-chlorophenyl)methyl]-1,3,4-oxadiazol-2-amine
CID 110456355
5-(1-chloroethyl)-N-(2,3-difluorophenyl)-1,3,4-oxadiazol-2-amine
CID 106956850
2-bromo-3-chloro-N-propan-2-ylaniline
CID 103478632
N-(2-bromo-5-methylphenyl)-5-(1-chloroethyl)-1,3,4-oxadiazol-2-amine
CID 106958341
5-(1-aminoethyl)-N-(3-butan-2-yloxyphenyl)-1,3,4-oxadiazol-2-amine
CID 106960252

Frequently Asked Questions

What is the IUPAC name of 5-(1-aminoethyl)-N-(2-bromo-3-chlorophenyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(1-aminoethyl)-N-(2-bromo-3-chlorophenyl)-1,3,4-oxadiazol-2-amine (CID 106967337) is 5-(1-aminoethyl)-N-(2-bromo-3-chlorophenyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(1-aminoethyl)-N-(2-bromo-3-chlorophenyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(1-aminoethyl)-N-(2-bromo-3-chlorophenyl)-1,3,4-oxadiazol-2-amine is CC(N)c1nnc(Nc2cccc(Cl)c2Br)o1.
What is the InChIKey of 5-(1-aminoethyl)-N-(2-bromo-3-chlorophenyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is NSRZAYWVIZZFSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrClN4O/c1-5(13)9-15-16-10(17-9)14-7-4-2-3-6(12)8(7)11/h2-5H,13H2,1H3,(H,14,16).
What are the key properties of 5-(1-aminoethyl)-N-(2-bromo-3-chlorophenyl)-1,3,4-oxadiazol-2-amine?
5-(1-aminoethyl)-N-(2-bromo-3-chlorophenyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 317.57 g/mol, XLogP of 3.25, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-aminoethyl)-N-(2-bromo-3-chlorophenyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106967337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).