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

C18H18N2O — CID 66201119

IUPAC4-(3,4-dimethylphenyl)-5-(2-methylphenyl)-1,2-oxazol-3-amine
SMILESCc1ccc(-c2c(N)noc2-c2ccccc2C)cc1C
InChIInChI=1S/C18H18N2O/c1-11-8-9-14(10-13(11)3)16-17(21-20-18(16)19)15-7-5-4-6-12(15)2/h4-10H,1-3H3,(H2,19,20)
InChIKeyWNNMDMKQDGJKKQ-UHFFFAOYSA-N
MW278.35 g/mol
LogP4.52
Rot. Bonds2

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

4-(3,4-dimethylphenyl)-5-(2-methylphenyl)-1,2-oxazol-3-amine (PubChem CID 66201119) has the molecular formula C18H18N2O and a molecular weight of 278.35 g/mol. Its IUPAC name is 4-(3,4-dimethylphenyl)-5-(2-methylphenyl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name4-(3,4-dimethylphenyl)-5-(2-methylphenyl)-1,2-oxazol-3-amine
PubChem CID66201119
Molecular FormulaC18H18N2O
Molecular Weight278.35 g/mol
Exact Mass278.14
IUPAC Name4-(3,4-dimethylphenyl)-5-(2-methylphenyl)-1,2-oxazol-3-amine
SMILESCc1ccc(-c2c(N)noc2-c2ccccc2C)cc1C
InChIInChI=1S/C18H18N2O/c1-11-8-9-14(10-13(11)3)16-17(21-20-18(16)19)15-7-5-4-6-12(15)2/h4-10H,1-3H3,(H2,19,20)
InChIKeyWNNMDMKQDGJKKQ-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 ≤ 500278.35
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(3,4-dichlorophenyl)-5-(2-methylphenyl)-1,2-oxazol-3-amine
CID 66200018
5-(2,5-dimethylfuran-3-yl)-4-(3,4-dimethylphenyl)-1,2-oxazol-3-amine
CID 66202854
5-(3,4-dimethylphenyl)-4-(2-fluorophenyl)-1,2-oxazol-3-amine
CID 66200765
4-(3,4-dimethylphenyl)-5-methyl-1,2-oxazol-3-amine
CID 66201499
5-(4-iodophenyl)-4-(2-methylphenyl)-1,2-oxazol-3-amine
CID 66205001
4-(3,4-dimethylphenyl)-5-(3-methylfuran-2-yl)-1,2-oxazol-3-amine
CID 66201310
4-(2-methylphenyl)-5-phenyl-1,2-oxazol-3-amine
CID 66204991
5-(5-fluoro-2-methylphenyl)-4-(3-fluorophenyl)-1,2-oxazol-3-amine
CID 66197977
4-(2-methylphenyl)-5-(3-methylphenyl)-1,2-oxazol-3-amine
CID 66205199
4-(3,4-dimethylphenyl)-5-(5-fluoro-3-pyridinyl)-1,2-oxazol-3-amine
CID 104786790
5-(2-methylfuran-3-yl)-4-(2-methylphenyl)-1,2-oxazol-3-amine
CID 66204587
5-(3-bromo-4-methylphenyl)-4-(2-bromophenyl)-1,2-oxazol-3-amine
CID 81480212

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethylphenyl)-5-(2-methylphenyl)-1,2-oxazol-3-amine?
The IUPAC name of 4-(3,4-dimethylphenyl)-5-(2-methylphenyl)-1,2-oxazol-3-amine (CID 66201119) is 4-(3,4-dimethylphenyl)-5-(2-methylphenyl)-1,2-oxazol-3-amine.
What is the SMILES notation for 4-(3,4-dimethylphenyl)-5-(2-methylphenyl)-1,2-oxazol-3-amine?
The canonical SMILES for 4-(3,4-dimethylphenyl)-5-(2-methylphenyl)-1,2-oxazol-3-amine is Cc1ccc(-c2c(N)noc2-c2ccccc2C)cc1C.
What is the InChIKey of 4-(3,4-dimethylphenyl)-5-(2-methylphenyl)-1,2-oxazol-3-amine?
The InChIKey is WNNMDMKQDGJKKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O/c1-11-8-9-14(10-13(11)3)16-17(21-20-18(16)19)15-7-5-4-6-12(15)2/h4-10H,1-3H3,(H2,19,20).
What are the key properties of 4-(3,4-dimethylphenyl)-5-(2-methylphenyl)-1,2-oxazol-3-amine?
4-(3,4-dimethylphenyl)-5-(2-methylphenyl)-1,2-oxazol-3-amine has a molecular weight of 278.35 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 4-(3,4-dimethylphenyl)-5-(2-methylphenyl)-1,2-oxazol-3-amine is sourced from PubChem (CID 66201119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).