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

C17H15ClN2O — CID 43335821

IUPAC4-(4-chlorophenyl)-3-(2,4-dimethylphenyl)-1,2-oxazol-5-amine
SMILESCc1ccc(-c2noc(N)c2-c2ccc(Cl)cc2)c(C)c1
InChIInChI=1S/C17H15ClN2O/c1-10-3-8-14(11(2)9-10)16-15(17(19)21-20-16)12-4-6-13(18)7-5-12/h3-9H,19H2,1-2H3
InChIKeyRIMHICPAIMLHPK-UHFFFAOYSA-N
MW298.77 g/mol
LogP4.86
Rot. Bonds2

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

4-(4-chlorophenyl)-3-(2,4-dimethylphenyl)-1,2-oxazol-5-amine (PubChem CID 43335821) has the molecular formula C17H15ClN2O and a molecular weight of 298.77 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-3-(2,4-dimethylphenyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-(4-chlorophenyl)-3-(2,4-dimethylphenyl)-1,2-oxazol-5-amine
PubChem CID43335821
Molecular FormulaC17H15ClN2O
Molecular Weight298.77 g/mol
Exact Mass298.09
IUPAC Name4-(4-chlorophenyl)-3-(2,4-dimethylphenyl)-1,2-oxazol-5-amine
SMILESCc1ccc(-c2noc(N)c2-c2ccc(Cl)cc2)c(C)c1
InChIInChI=1S/C17H15ClN2O/c1-10-3-8-14(11(2)9-10)16-15(17(19)21-20-16)12-4-6-13(18)7-5-12/h3-9H,19H2,1-2H3
InChIKeyRIMHICPAIMLHPK-UHFFFAOYSA-N
XLogP4.86
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,4-dimethylphenyl)-4-(2-methylphenyl)-1,2-oxazol-5-amine
CID 43335592
3-(2-chloro-4-methylphenyl)-4-pyridin-4-yl-1,2-oxazol-5-amine
CID 106861629
3-(4-chlorophenyl)-4-(3-methylphenyl)-1,2-oxazol-5-amine
CID 62829610
3-(2,5-dimethylphenyl)-4-(4-fluorophenyl)-1,2-oxazol-5-amine
CID 43158169
4-(4-chlorophenyl)-3-(2,5-difluorophenyl)-1,2-oxazol-5-amine
CID 43335828
3-(2,4-dibromophenyl)-4-(4-methylphenyl)-1,2-oxazol-5-amine
CID 107955338
3-(3,5-dimethylphenyl)-4-(4-methylphenyl)-1,2-oxazol-5-amine
CID 62830488
3-(3-chloro-4-methylthiophen-2-yl)-4-(4-chlorophenyl)-1,2-oxazol-5-amine
CID 103402471
3-(4-chloro-2-fluorophenyl)-4-phenyl-1,2-oxazol-5-amine
CID 43335730
3-(2,5-dibromophenyl)-4-(4-methylphenyl)-1,2-oxazol-5-amine
CID 114373473
3-(2-bromo-3-methylphenyl)-4-(4-methylphenyl)-1,2-oxazol-5-amine
CID 107982879
4-(4-fluorophenyl)-3-(2-methylphenyl)-1,2-oxazol-5-amine
CID 43335890

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-3-(2,4-dimethylphenyl)-1,2-oxazol-5-amine?
The IUPAC name of 4-(4-chlorophenyl)-3-(2,4-dimethylphenyl)-1,2-oxazol-5-amine (CID 43335821) is 4-(4-chlorophenyl)-3-(2,4-dimethylphenyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 4-(4-chlorophenyl)-3-(2,4-dimethylphenyl)-1,2-oxazol-5-amine?
The canonical SMILES for 4-(4-chlorophenyl)-3-(2,4-dimethylphenyl)-1,2-oxazol-5-amine is Cc1ccc(-c2noc(N)c2-c2ccc(Cl)cc2)c(C)c1.
What is the InChIKey of 4-(4-chlorophenyl)-3-(2,4-dimethylphenyl)-1,2-oxazol-5-amine?
The InChIKey is RIMHICPAIMLHPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O/c1-10-3-8-14(11(2)9-10)16-15(17(19)21-20-16)12-4-6-13(18)7-5-12/h3-9H,19H2,1-2H3.
What are the key properties of 4-(4-chlorophenyl)-3-(2,4-dimethylphenyl)-1,2-oxazol-5-amine?
4-(4-chlorophenyl)-3-(2,4-dimethylphenyl)-1,2-oxazol-5-amine has a molecular weight of 298.77 g/mol, XLogP of 4.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-3-(2,4-dimethylphenyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 43335821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).