4-(5-tert-butyl-2-methylphenyl)-5-methyl-1,3-oxazol-2-amine

C15H20N2O — CID 116831798

IUPAC4-(5-tert-butyl-2-methylphenyl)-5-methyl-1,3-oxazol-2-amine
SMILESCc1ccc(C(C)(C)C)cc1-c1nc(N)oc1C
InChIInChI=1S/C15H20N2O/c1-9-6-7-11(15(3,4)5)8-12(9)13-10(2)18-14(16)17-13/h6-8H,1-5H3,(H2,16,17)
InChIKeyGKJPGSICLWXBAJ-UHFFFAOYSA-N
MW244.34 g/mol
LogP3.84
Rot. Bonds1

About 4-(5-tert-butyl-2-methylphenyl)-5-methyl-1,3-oxazol-2-amine

4-(5-tert-butyl-2-methylphenyl)-5-methyl-1,3-oxazol-2-amine (PubChem CID 116831798) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 4-(5-tert-butyl-2-methylphenyl)-5-methyl-1,3-oxazol-2-amine.

Molecular Properties

Compound Name4-(5-tert-butyl-2-methylphenyl)-5-methyl-1,3-oxazol-2-amine
PubChem CID116831798
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name4-(5-tert-butyl-2-methylphenyl)-5-methyl-1,3-oxazol-2-amine
SMILESCc1ccc(C(C)(C)C)cc1-c1nc(N)oc1C
InChIInChI=1S/C15H20N2O/c1-9-6-7-11(15(3,4)5)8-12(9)13-10(2)18-14(16)17-13/h6-8H,1-5H3,(H2,16,17)
InChIKeyGKJPGSICLWXBAJ-UHFFFAOYSA-N
XLogP3.84
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(5-tert-butyl-2-methylphenyl)-5-methyl-1,3-oxazol-2-amine?
The IUPAC name of 4-(5-tert-butyl-2-methylphenyl)-5-methyl-1,3-oxazol-2-amine (CID 116831798) is 4-(5-tert-butyl-2-methylphenyl)-5-methyl-1,3-oxazol-2-amine.
What is the SMILES notation for 4-(5-tert-butyl-2-methylphenyl)-5-methyl-1,3-oxazol-2-amine?
The canonical SMILES for 4-(5-tert-butyl-2-methylphenyl)-5-methyl-1,3-oxazol-2-amine is Cc1ccc(C(C)(C)C)cc1-c1nc(N)oc1C.
What is the InChIKey of 4-(5-tert-butyl-2-methylphenyl)-5-methyl-1,3-oxazol-2-amine?
The InChIKey is GKJPGSICLWXBAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-9-6-7-11(15(3,4)5)8-12(9)13-10(2)18-14(16)17-13/h6-8H,1-5H3,(H2,16,17).
What are the key properties of 4-(5-tert-butyl-2-methylphenyl)-5-methyl-1,3-oxazol-2-amine?
4-(5-tert-butyl-2-methylphenyl)-5-methyl-1,3-oxazol-2-amine has a molecular weight of 244.34 g/mol, XLogP of 3.84, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-tert-butyl-2-methylphenyl)-5-methyl-1,3-oxazol-2-amine is sourced from PubChem (CID 116831798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).