5-(4-tert-butyl-2,6-dimethylphenyl)-1,2-oxazol-3-amine

C15H20N2O — CID 82478638

IUPAC5-(4-tert-butyl-2,6-dimethylphenyl)-1,2-oxazol-3-amine
SMILESCc1cc(C(C)(C)C)cc(C)c1-c1cc(N)no1
InChIInChI=1S/C15H20N2O/c1-9-6-11(15(3,4)5)7-10(2)14(9)12-8-13(16)17-18-12/h6-8H,1-5H3,(H2,16,17)
InChIKeySKMGAGMSAODEIN-UHFFFAOYSA-N
MW244.34 g/mol
LogP3.84
Rot. Bonds1

About 5-(4-tert-butyl-2,6-dimethylphenyl)-1,2-oxazol-3-amine

5-(4-tert-butyl-2,6-dimethylphenyl)-1,2-oxazol-3-amine (PubChem CID 82478638) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 5-(4-tert-butyl-2,6-dimethylphenyl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(4-tert-butyl-2,6-dimethylphenyl)-1,2-oxazol-3-amine
PubChem CID82478638
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name5-(4-tert-butyl-2,6-dimethylphenyl)-1,2-oxazol-3-amine
SMILESCc1cc(C(C)(C)C)cc(C)c1-c1cc(N)no1
InChIInChI=1S/C15H20N2O/c1-9-6-11(15(3,4)5)7-10(2)14(9)12-8-13(16)17-18-12/h6-8H,1-5H3,(H2,16,17)
InChIKeySKMGAGMSAODEIN-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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Related Compounds

5-(4-tert-butyl-2,6-dimethylphenyl)-3-methyl-1,2-oxazole
CID 116868950
5-(2,3-dimethoxy-4,6-dimethylphenyl)-1,2-oxazol-3-amine
CID 117373527
3-(3-amino-1,2-oxazol-5-yl)-4-bromo-2,6-dimethylphenol
CID 117454901
5-(6-chloro-2-fluoro-3-methylphenyl)-1,2-oxazol-3-amine
CID 117325876
2-(3-amino-1,2-oxazol-5-yl)-3-fluoro-6-methylphenol
CID 136998720
5-tert-butyl-1,2-oxazol-3-amine;hydrochloride
CID 11969519
5-tert-butyl-1,2-oxazol-3-amine;ethane
CID 142449889
5-(3-methylthiophen-2-yl)-1,2-oxazol-3-amine
CID 66199204
2-(3-amino-1,2-oxazol-5-yl)-5-chloro-6-methoxy-3-methylphenol
CID 136942364
5-(5-methylfuran-3-yl)-1,2-oxazol-3-amine
CID 114823937
2-(3-amino-1,2-oxazol-5-yl)-6-methoxy-3-methylphenol
CID 136993784
5-(4-fluoro-3-methylphenyl)-1,2-oxazol-3-amine
CID 64983047

Frequently Asked Questions

What is the IUPAC name of 5-(4-tert-butyl-2,6-dimethylphenyl)-1,2-oxazol-3-amine?
The IUPAC name of 5-(4-tert-butyl-2,6-dimethylphenyl)-1,2-oxazol-3-amine (CID 82478638) is 5-(4-tert-butyl-2,6-dimethylphenyl)-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(4-tert-butyl-2,6-dimethylphenyl)-1,2-oxazol-3-amine?
The canonical SMILES for 5-(4-tert-butyl-2,6-dimethylphenyl)-1,2-oxazol-3-amine is Cc1cc(C(C)(C)C)cc(C)c1-c1cc(N)no1.
What is the InChIKey of 5-(4-tert-butyl-2,6-dimethylphenyl)-1,2-oxazol-3-amine?
The InChIKey is SKMGAGMSAODEIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-9-6-11(15(3,4)5)7-10(2)14(9)12-8-13(16)17-18-12/h6-8H,1-5H3,(H2,16,17).
What are the key properties of 5-(4-tert-butyl-2,6-dimethylphenyl)-1,2-oxazol-3-amine?
5-(4-tert-butyl-2,6-dimethylphenyl)-1,2-oxazol-3-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 5-(4-tert-butyl-2,6-dimethylphenyl)-1,2-oxazol-3-amine is sourced from PubChem (CID 82478638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).