4-chloro-5-(2-chlorophenyl)-1,2-oxazol-3-amine

C9H6Cl2N2O — CID 79555769

IUPAC4-chloro-5-(2-chlorophenyl)-1,2-oxazol-3-amine
SMILESNc1noc(-c2ccccc2Cl)c1Cl
InChIInChI=1S/C9H6Cl2N2O/c10-6-4-2-1-3-5(6)8-7(11)9(12)13-14-8/h1-4H,(H2,12,13)
InChIKeyOOJHHIFZUZHOCE-UHFFFAOYSA-N
MW229.07 g/mol
LogP3.23
Rot. Bonds1

About 4-chloro-5-(2-chlorophenyl)-1,2-oxazol-3-amine

4-chloro-5-(2-chlorophenyl)-1,2-oxazol-3-amine (PubChem CID 79555769) has the molecular formula C9H6Cl2N2O and a molecular weight of 229.07 g/mol. Its IUPAC name is 4-chloro-5-(2-chlorophenyl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name4-chloro-5-(2-chlorophenyl)-1,2-oxazol-3-amine
PubChem CID79555769
Molecular FormulaC9H6Cl2N2O
Molecular Weight229.07 g/mol
Exact Mass227.99
IUPAC Name4-chloro-5-(2-chlorophenyl)-1,2-oxazol-3-amine
SMILESNc1noc(-c2ccccc2Cl)c1Cl
InChIInChI=1S/C9H6Cl2N2O/c10-6-4-2-1-3-5(6)8-7(11)9(12)13-14-8/h1-4H,(H2,12,13)
InChIKeyOOJHHIFZUZHOCE-UHFFFAOYSA-N
XLogP3.23
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.07
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(2-chlorophenyl)-1,2-oxazol-3-amine?
The IUPAC name of 4-chloro-5-(2-chlorophenyl)-1,2-oxazol-3-amine (CID 79555769) is 4-chloro-5-(2-chlorophenyl)-1,2-oxazol-3-amine.
What is the SMILES notation for 4-chloro-5-(2-chlorophenyl)-1,2-oxazol-3-amine?
The canonical SMILES for 4-chloro-5-(2-chlorophenyl)-1,2-oxazol-3-amine is Nc1noc(-c2ccccc2Cl)c1Cl.
What is the InChIKey of 4-chloro-5-(2-chlorophenyl)-1,2-oxazol-3-amine?
The InChIKey is OOJHHIFZUZHOCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6Cl2N2O/c10-6-4-2-1-3-5(6)8-7(11)9(12)13-14-8/h1-4H,(H2,12,13).
What are the key properties of 4-chloro-5-(2-chlorophenyl)-1,2-oxazol-3-amine?
4-chloro-5-(2-chlorophenyl)-1,2-oxazol-3-amine has a molecular weight of 229.07 g/mol, XLogP of 3.23, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(2-chlorophenyl)-1,2-oxazol-3-amine is sourced from PubChem (CID 79555769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).