4-(2,4-dichlorophenyl)-5-(3-methylphenyl)-1,2-oxazol-3-amine

C16H12Cl2N2O — CID 66200150

IUPAC4-(2,4-dichlorophenyl)-5-(3-methylphenyl)-1,2-oxazol-3-amine
SMILESCc1cccc(-c2onc(N)c2-c2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C16H12Cl2N2O/c1-9-3-2-4-10(7-9)15-14(16(19)20-21-15)12-6-5-11(17)8-13(12)18/h2-8H,1H3,(H2,19,20)
InChIKeyAEBKMZOLMOYZJT-UHFFFAOYSA-N
MW319.19 g/mol
LogP5.21
Rot. Bonds2

About 4-(2,4-dichlorophenyl)-5-(3-methylphenyl)-1,2-oxazol-3-amine

4-(2,4-dichlorophenyl)-5-(3-methylphenyl)-1,2-oxazol-3-amine (PubChem CID 66200150) has the molecular formula C16H12Cl2N2O and a molecular weight of 319.19 g/mol. Its IUPAC name is 4-(2,4-dichlorophenyl)-5-(3-methylphenyl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name4-(2,4-dichlorophenyl)-5-(3-methylphenyl)-1,2-oxazol-3-amine
PubChem CID66200150
Molecular FormulaC16H12Cl2N2O
Molecular Weight319.19 g/mol
Exact Mass318.03
IUPAC Name4-(2,4-dichlorophenyl)-5-(3-methylphenyl)-1,2-oxazol-3-amine
SMILESCc1cccc(-c2onc(N)c2-c2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C16H12Cl2N2O/c1-9-3-2-4-10(7-9)15-14(16(19)20-21-15)12-6-5-11(17)8-13(12)18/h2-8H,1H3,(H2,19,20)
InChIKeyAEBKMZOLMOYZJT-UHFFFAOYSA-N
XLogP5.21
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.19
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichlorophenyl)-5-(3-methylphenyl)-1,2-oxazol-3-amine?
The IUPAC name of 4-(2,4-dichlorophenyl)-5-(3-methylphenyl)-1,2-oxazol-3-amine (CID 66200150) is 4-(2,4-dichlorophenyl)-5-(3-methylphenyl)-1,2-oxazol-3-amine.
What is the SMILES notation for 4-(2,4-dichlorophenyl)-5-(3-methylphenyl)-1,2-oxazol-3-amine?
The canonical SMILES for 4-(2,4-dichlorophenyl)-5-(3-methylphenyl)-1,2-oxazol-3-amine is Cc1cccc(-c2onc(N)c2-c2ccc(Cl)cc2Cl)c1.
What is the InChIKey of 4-(2,4-dichlorophenyl)-5-(3-methylphenyl)-1,2-oxazol-3-amine?
The InChIKey is AEBKMZOLMOYZJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2N2O/c1-9-3-2-4-10(7-9)15-14(16(19)20-21-15)12-6-5-11(17)8-13(12)18/h2-8H,1H3,(H2,19,20).
What are the key properties of 4-(2,4-dichlorophenyl)-5-(3-methylphenyl)-1,2-oxazol-3-amine?
4-(2,4-dichlorophenyl)-5-(3-methylphenyl)-1,2-oxazol-3-amine has a molecular weight of 319.19 g/mol, XLogP of 5.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dichlorophenyl)-5-(3-methylphenyl)-1,2-oxazol-3-amine is sourced from PubChem (CID 66200150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).