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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Related Compounds

3-(2-Chlorophenyl)-5-methyl-4-phenyl-1,2-oxazole
CID 57780773
3-[5-(4-Carbamimidoylphenyl)-1,2-oxazol-3-yl]-2-chlorobenzenecarboximidamide
CID 44422970
3-[3-(3-Carbamimidoylphenyl)-1,2-oxazol-5-yl]-2-chlorobenzenecarboximidamide
CID 44422993
3-[5-(3-Carbamimidoylphenyl)-1,2-oxazol-3-yl]-2-chlorobenzenecarboximidamide
CID 44423003
5-(4-Chlorophenyl)-1,2-oxazol-3-amine
CID 13035539
[(Z)-[amino-(2,4-dichlorophenyl)methylene]amino] 5-methyl-3-phenyl-isoxazole-4-carboxylate
CID 9575581
3-[3-(4-Carbamimidoylphenyl)-1,2-oxazol-5-yl]-4-chlorobenzenecarboximidamide;trihydrochloride
CID 90664503
3-[5-(3-Carbamimidoylphenyl)-1,2-oxazol-3-yl]-4-chlorobenzenecarboximidamide;trihydrochloride
CID 90664633
3-[3-(3-Carbamimidoylphenyl)-1,2-oxazol-5-yl]-4-chlorobenzenecarboximidamide;trihydrochloride
CID 90664634
3-[5-(4-Carbamimidoylphenyl)-1,2-oxazol-3-yl]-4-chlorobenzenecarboximidamide;trihydrochloride
CID 90665240
5-(3,5-Dichlorophenyl)-4-(2-fluorophenyl)-1,2-oxazol-3-amine
CID 66198160
5-(2-Chlorophenyl)-1,2-oxazol-3-amine
CID 66200617

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).