5-(3,5-dichlorophenyl)-1,2-oxazol-3-amine

C9H6Cl2N2O — CID 66199808

IUPAC5-(3,5-dichlorophenyl)-1,2-oxazol-3-amine
SMILESNc1cc(-c2cc(Cl)cc(Cl)c2)on1
InChIInChI=1S/C9H6Cl2N2O/c10-6-1-5(2-7(11)3-6)8-4-9(12)13-14-8/h1-4H,(H2,12,13)
InChIKeyALEYESMSENTJQB-UHFFFAOYSA-N
MW229.07 g/mol
LogP3.23
Rot. Bonds1

About 5-(3,5-dichlorophenyl)-1,2-oxazol-3-amine

5-(3,5-dichlorophenyl)-1,2-oxazol-3-amine (PubChem CID 66199808) has the molecular formula C9H6Cl2N2O and a molecular weight of 229.07 g/mol. Its IUPAC name is 5-(3,5-dichlorophenyl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(3,5-dichlorophenyl)-1,2-oxazol-3-amine
PubChem CID66199808
Molecular FormulaC9H6Cl2N2O
Molecular Weight229.07 g/mol
Exact Mass227.99
IUPAC Name5-(3,5-dichlorophenyl)-1,2-oxazol-3-amine
SMILESNc1cc(-c2cc(Cl)cc(Cl)c2)on1
InChIInChI=1S/C9H6Cl2N2O/c10-6-1-5(2-7(11)3-6)8-4-9(12)13-14-8/h1-4H,(H2,12,13)
InChIKeyALEYESMSENTJQB-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 5-(3,5-dichlorophenyl)-1,2-oxazol-3-amine?
The IUPAC name of 5-(3,5-dichlorophenyl)-1,2-oxazol-3-amine (CID 66199808) is 5-(3,5-dichlorophenyl)-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(3,5-dichlorophenyl)-1,2-oxazol-3-amine?
The canonical SMILES for 5-(3,5-dichlorophenyl)-1,2-oxazol-3-amine is Nc1cc(-c2cc(Cl)cc(Cl)c2)on1.
What is the InChIKey of 5-(3,5-dichlorophenyl)-1,2-oxazol-3-amine?
The InChIKey is ALEYESMSENTJQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6Cl2N2O/c10-6-1-5(2-7(11)3-6)8-4-9(12)13-14-8/h1-4H,(H2,12,13).
What are the key properties of 5-(3,5-dichlorophenyl)-1,2-oxazol-3-amine?
5-(3,5-dichlorophenyl)-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 5-(3,5-dichlorophenyl)-1,2-oxazol-3-amine is sourced from PubChem (CID 66199808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).