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

C18H18N2O — CID 66198077

IUPAC5-(3,5-dimethylphenyl)-4-(3-methylphenyl)-1,2-oxazol-3-amine
SMILESCc1cc(C)cc(-c2onc(N)c2-c2cccc(C)c2)c1
InChIInChI=1S/C18H18N2O/c1-11-5-4-6-14(8-11)16-17(21-20-18(16)19)15-9-12(2)7-13(3)10-15/h4-10H,1-3H3,(H2,19,20)
InChIKeyLFLMRMXXEGVXPO-UHFFFAOYSA-N
MW278.35 g/mol
LogP4.52
Rot. Bonds2

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

5-(3,5-dimethylphenyl)-4-(3-methylphenyl)-1,2-oxazol-3-amine (PubChem CID 66198077) has the molecular formula C18H18N2O and a molecular weight of 278.35 g/mol. Its IUPAC name is 5-(3,5-dimethylphenyl)-4-(3-methylphenyl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(3,5-dimethylphenyl)-4-(3-methylphenyl)-1,2-oxazol-3-amine
PubChem CID66198077
Molecular FormulaC18H18N2O
Molecular Weight278.35 g/mol
Exact Mass278.14
IUPAC Name5-(3,5-dimethylphenyl)-4-(3-methylphenyl)-1,2-oxazol-3-amine
SMILESCc1cc(C)cc(-c2onc(N)c2-c2cccc(C)c2)c1
InChIInChI=1S/C18H18N2O/c1-11-5-4-6-14(8-11)16-17(21-20-18(16)19)15-9-12(2)7-13(3)10-15/h4-10H,1-3H3,(H2,19,20)
InChIKeyLFLMRMXXEGVXPO-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

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Related Compounds

4-(3-methylphenyl)-5-(4-methylphenyl)-1,2-oxazol-3-amine
CID 66197888
5-(3-chloro-5-methylphenyl)-4-phenyl-1,2-oxazol-3-amine
CID 81324835
5-(2-methylfuran-3-yl)-4-(3-methylphenyl)-1,2-oxazol-3-amine
CID 66198480
5-[3-amino-4-(3-methylphenyl)-1,2-oxazol-5-yl]-1H-pyridin-2-one
CID 136742855
4-(4-bromophenyl)-5-(3,5-dimethylphenyl)-1,2-oxazol-3-amine
CID 66199515
4-(2-methylphenyl)-5-(3-methylphenyl)-1,2-oxazol-3-amine
CID 66205199
5-(5-chloro-2-fluorophenyl)-4-(3-methylphenyl)-1,2-oxazol-3-amine
CID 66198080
5-(2,2-dimethylpropyl)-4-(3-methylphenyl)-1,2-oxazol-3-amine
CID 66199678
4-(2-fluorophenyl)-5-(3-methylphenyl)-1,2-oxazol-3-amine
CID 66199355
4-(2-chlorophenyl)-5-(3,5-dimethylphenyl)-1,2-oxazol-3-amine
CID 66207019
5-(4-methylphenyl)-4-phenyl-1,2-oxazol-3-amine
CID 66199506
4-(2,4-dichlorophenyl)-5-(3-methylphenyl)-1,2-oxazol-3-amine
CID 66200150

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dimethylphenyl)-4-(3-methylphenyl)-1,2-oxazol-3-amine?
The IUPAC name of 5-(3,5-dimethylphenyl)-4-(3-methylphenyl)-1,2-oxazol-3-amine (CID 66198077) is 5-(3,5-dimethylphenyl)-4-(3-methylphenyl)-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(3,5-dimethylphenyl)-4-(3-methylphenyl)-1,2-oxazol-3-amine?
The canonical SMILES for 5-(3,5-dimethylphenyl)-4-(3-methylphenyl)-1,2-oxazol-3-amine is Cc1cc(C)cc(-c2onc(N)c2-c2cccc(C)c2)c1.
What is the InChIKey of 5-(3,5-dimethylphenyl)-4-(3-methylphenyl)-1,2-oxazol-3-amine?
The InChIKey is LFLMRMXXEGVXPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O/c1-11-5-4-6-14(8-11)16-17(21-20-18(16)19)15-9-12(2)7-13(3)10-15/h4-10H,1-3H3,(H2,19,20).
What are the key properties of 5-(3,5-dimethylphenyl)-4-(3-methylphenyl)-1,2-oxazol-3-amine?
5-(3,5-dimethylphenyl)-4-(3-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 5-(3,5-dimethylphenyl)-4-(3-methylphenyl)-1,2-oxazol-3-amine is sourced from PubChem (CID 66198077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).