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

C18H18N2O — CID 43335592

IUPAC3-(2,4-dimethylphenyl)-4-(2-methylphenyl)-1,2-oxazol-5-amine
SMILESCc1ccc(-c2noc(N)c2-c2ccccc2C)c(C)c1
InChIInChI=1S/C18H18N2O/c1-11-8-9-15(13(3)10-11)17-16(18(19)21-20-17)14-7-5-4-6-12(14)2/h4-10H,19H2,1-3H3
InChIKeyRQUOCBYACALWLL-UHFFFAOYSA-N
MW278.36 g/mol
LogP4.52
Rot. Bonds2

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

3-(2,4-dimethylphenyl)-4-(2-methylphenyl)-1,2-oxazol-5-amine (PubChem CID 43335592) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is 3-(2,4-dimethylphenyl)-4-(2-methylphenyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(2,4-dimethylphenyl)-4-(2-methylphenyl)-1,2-oxazol-5-amine
PubChem CID43335592
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC Name3-(2,4-dimethylphenyl)-4-(2-methylphenyl)-1,2-oxazol-5-amine
SMILESCc1ccc(-c2noc(N)c2-c2ccccc2C)c(C)c1
InChIInChI=1S/C18H18N2O/c1-11-8-9-15(13(3)10-11)17-16(18(19)21-20-17)14-7-5-4-6-12(14)2/h4-10H,19H2,1-3H3
InChIKeyRQUOCBYACALWLL-UHFFFAOYSA-N
XLogP4.52
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-fluoro-5-methylphenyl)-4-(2-methylphenyl)-1,2-oxazol-5-amine
CID 62514498
4-(4-chlorophenyl)-3-(2,4-dimethylphenyl)-1,2-oxazol-5-amine
CID 43335821
3-(2-bromofuran-3-yl)-4-(2-methylphenyl)-1,2-oxazol-5-amine
CID 106854737
3-(2,5-dichlorothiophen-3-yl)-4-(2-methylphenyl)-1,2-oxazol-5-amine
CID 107962857
3-(2,6-dichlorophenyl)-4-(2-methylphenyl)-1,2-oxazol-5-amine
CID 43335610
3-(5-bromo-2-fluorophenyl)-4-(2-methylphenyl)-1,2-oxazol-5-amine
CID 43157955
3-(4-fluorophenyl)-4-(2-methylphenyl)-1,2-oxazol-5-amine
CID 43157945
4-(4-fluorophenyl)-3-(2-methylphenyl)-1,2-oxazol-5-amine
CID 43335890
4-(3-bromophenyl)-3-(2-methylphenyl)-1,2-oxazol-5-amine
CID 43560913
4-(3-fluorophenyl)-3-(2-methylphenyl)-1,2-oxazol-5-amine
CID 43336065
4-(2-methylphenyl)-3-(1H-pyrazol-5-yl)-1,2-oxazol-5-amine
CID 63080317
4-(2-methylphenyl)-3-pyridazin-4-yl-1,2-oxazol-5-amine
CID 104670744

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethylphenyl)-4-(2-methylphenyl)-1,2-oxazol-5-amine?
The IUPAC name of 3-(2,4-dimethylphenyl)-4-(2-methylphenyl)-1,2-oxazol-5-amine (CID 43335592) is 3-(2,4-dimethylphenyl)-4-(2-methylphenyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(2,4-dimethylphenyl)-4-(2-methylphenyl)-1,2-oxazol-5-amine?
The canonical SMILES for 3-(2,4-dimethylphenyl)-4-(2-methylphenyl)-1,2-oxazol-5-amine is Cc1ccc(-c2noc(N)c2-c2ccccc2C)c(C)c1.
What is the InChIKey of 3-(2,4-dimethylphenyl)-4-(2-methylphenyl)-1,2-oxazol-5-amine?
The InChIKey is RQUOCBYACALWLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O/c1-11-8-9-15(13(3)10-11)17-16(18(19)21-20-17)14-7-5-4-6-12(14)2/h4-10H,19H2,1-3H3.
What are the key properties of 3-(2,4-dimethylphenyl)-4-(2-methylphenyl)-1,2-oxazol-5-amine?
3-(2,4-dimethylphenyl)-4-(2-methylphenyl)-1,2-oxazol-5-amine has a molecular weight of 278.36 g/mol, XLogP of 4.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethylphenyl)-4-(2-methylphenyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 43335592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).