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

C16H12Cl2N2O — CID 81316062

IUPAC3-(3-chloro-5-methylphenyl)-4-(3-chlorophenyl)-1,2-oxazol-5-amine
SMILESCc1cc(Cl)cc(-c2noc(N)c2-c2cccc(Cl)c2)c1
InChIInChI=1S/C16H12Cl2N2O/c1-9-5-11(8-13(18)6-9)15-14(16(19)21-20-15)10-3-2-4-12(17)7-10/h2-8H,19H2,1H3
InChIKeyNYUXNGNROYICOO-UHFFFAOYSA-N
MW319.19 g/mol
LogP5.21
Rot. Bonds2

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

3-(3-chloro-5-methylphenyl)-4-(3-chlorophenyl)-1,2-oxazol-5-amine (PubChem CID 81316062) has the molecular formula C16H12Cl2N2O and a molecular weight of 319.19 g/mol. Its IUPAC name is 3-(3-chloro-5-methylphenyl)-4-(3-chlorophenyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(3-chloro-5-methylphenyl)-4-(3-chlorophenyl)-1,2-oxazol-5-amine
PubChem CID81316062
Molecular FormulaC16H12Cl2N2O
Molecular Weight319.19 g/mol
Exact Mass318.03
IUPAC Name3-(3-chloro-5-methylphenyl)-4-(3-chlorophenyl)-1,2-oxazol-5-amine
SMILESCc1cc(Cl)cc(-c2noc(N)c2-c2cccc(Cl)c2)c1
InChIInChI=1S/C16H12Cl2N2O/c1-9-5-11(8-13(18)6-9)15-14(16(19)21-20-15)10-3-2-4-12(17)7-10/h2-8H,19H2,1H3
InChIKeyNYUXNGNROYICOO-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-(4-chlorophenyl)-4-(3-methylphenyl)-1,2-oxazol-5-amine
CID 62829610
4-(3-chlorophenyl)-3-(4-fluoro-3-methylphenyl)-1,2-oxazol-5-amine
CID 63213917
4-(3-chlorophenyl)-3-(4-fluorophenyl)-1,2-oxazol-5-amine
CID 43157981
4-(2-bromophenyl)-3-(3-chloro-5-methylphenyl)-1,2-oxazol-5-amine
CID 81317351
3-(3-chloro-5-methylphenyl)-4-pyridin-2-yl-1,2-oxazol-5-amine
CID 81323738
4-(3-methylphenyl)-3-phenyl-1,2-oxazol-5-amine
CID 62829774
4-(3-chlorophenyl)-3-(2-methylfuran-3-yl)-1,2-oxazol-5-amine
CID 43335614
4-(3-chlorophenyl)-3-(2,5-dimethylfuran-3-yl)-1,2-oxazol-5-amine
CID 43335617
3-(3-chlorophenyl)-4-(4-fluorophenyl)-1,2-oxazol-5-amine
CID 43158163
4-(3-chlorophenyl)-1,2-oxazole-3,5-diamine
CID 130439181
3-(3,5-dimethylphenyl)-4-(4-methylphenyl)-1,2-oxazol-5-amine
CID 62830488
4-(2-chloro-6-fluorophenyl)-3-(3-chlorophenyl)-1,2-oxazol-5-amine
CID 43335685

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-5-methylphenyl)-4-(3-chlorophenyl)-1,2-oxazol-5-amine?
The IUPAC name of 3-(3-chloro-5-methylphenyl)-4-(3-chlorophenyl)-1,2-oxazol-5-amine (CID 81316062) is 3-(3-chloro-5-methylphenyl)-4-(3-chlorophenyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(3-chloro-5-methylphenyl)-4-(3-chlorophenyl)-1,2-oxazol-5-amine?
The canonical SMILES for 3-(3-chloro-5-methylphenyl)-4-(3-chlorophenyl)-1,2-oxazol-5-amine is Cc1cc(Cl)cc(-c2noc(N)c2-c2cccc(Cl)c2)c1.
What is the InChIKey of 3-(3-chloro-5-methylphenyl)-4-(3-chlorophenyl)-1,2-oxazol-5-amine?
The InChIKey is NYUXNGNROYICOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2N2O/c1-9-5-11(8-13(18)6-9)15-14(16(19)21-20-15)10-3-2-4-12(17)7-10/h2-8H,19H2,1H3.
What are the key properties of 3-(3-chloro-5-methylphenyl)-4-(3-chlorophenyl)-1,2-oxazol-5-amine?
3-(3-chloro-5-methylphenyl)-4-(3-chlorophenyl)-1,2-oxazol-5-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 3-(3-chloro-5-methylphenyl)-4-(3-chlorophenyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 81316062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).