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

C18H18N2O — CID 62830488

IUPAC3-(3,5-dimethylphenyl)-4-(4-methylphenyl)-1,2-oxazol-5-amine
SMILESCc1ccc(-c2c(-c3cc(C)cc(C)c3)noc2N)cc1
InChIInChI=1S/C18H18N2O/c1-11-4-6-14(7-5-11)16-17(20-21-18(16)19)15-9-12(2)8-13(3)10-15/h4-10H,19H2,1-3H3
InChIKeyXJVVTPYPZHQTCI-UHFFFAOYSA-N
MW278.36 g/mol
LogP4.52
Rot. Bonds2

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

3-(3,5-dimethylphenyl)-4-(4-methylphenyl)-1,2-oxazol-5-amine (PubChem CID 62830488) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is 3-(3,5-dimethylphenyl)-4-(4-methylphenyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(3,5-dimethylphenyl)-4-(4-methylphenyl)-1,2-oxazol-5-amine
PubChem CID62830488
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC Name3-(3,5-dimethylphenyl)-4-(4-methylphenyl)-1,2-oxazol-5-amine
SMILESCc1ccc(-c2c(-c3cc(C)cc(C)c3)noc2N)cc1
InChIInChI=1S/C18H18N2O/c1-11-4-6-14(7-5-11)16-17(20-21-18(16)19)15-9-12(2)8-13(3)10-15/h4-10H,19H2,1-3H3
InChIKeyXJVVTPYPZHQTCI-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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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylphenyl)-4-(4-methylphenyl)-1,2-oxazol-5-amine?
The IUPAC name of 3-(3,5-dimethylphenyl)-4-(4-methylphenyl)-1,2-oxazol-5-amine (CID 62830488) is 3-(3,5-dimethylphenyl)-4-(4-methylphenyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(3,5-dimethylphenyl)-4-(4-methylphenyl)-1,2-oxazol-5-amine?
The canonical SMILES for 3-(3,5-dimethylphenyl)-4-(4-methylphenyl)-1,2-oxazol-5-amine is Cc1ccc(-c2c(-c3cc(C)cc(C)c3)noc2N)cc1.
What is the InChIKey of 3-(3,5-dimethylphenyl)-4-(4-methylphenyl)-1,2-oxazol-5-amine?
The InChIKey is XJVVTPYPZHQTCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O/c1-11-4-6-14(7-5-11)16-17(20-21-18(16)19)15-9-12(2)8-13(3)10-15/h4-10H,19H2,1-3H3.
What are the key properties of 3-(3,5-dimethylphenyl)-4-(4-methylphenyl)-1,2-oxazol-5-amine?
3-(3,5-dimethylphenyl)-4-(4-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-(3,5-dimethylphenyl)-4-(4-methylphenyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 62830488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).