[5-(4-tert-butyl-2-methylphenyl)-3-methyl-1,2-oxazol-4-yl]methanamine

C16H22N2O — CID 82483679

IUPAC[5-(4-tert-butyl-2-methylphenyl)-3-methyl-1,2-oxazol-4-yl]methanamine
SMILESCc1cc(C(C)(C)C)ccc1-c1onc(C)c1CN
InChIInChI=1S/C16H22N2O/c1-10-8-12(16(3,4)5)6-7-13(10)15-14(9-17)11(2)18-19-15/h6-8H,9,17H2,1-5H3
InChIKeyVBMQDCIBYYRZCF-UHFFFAOYSA-N
MW258.36 g/mol
LogP3.71
Rot. Bonds2

About [5-(4-tert-butyl-2-methylphenyl)-3-methyl-1,2-oxazol-4-yl]methanamine

[5-(4-tert-butyl-2-methylphenyl)-3-methyl-1,2-oxazol-4-yl]methanamine (PubChem CID 82483679) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is [5-(4-tert-butyl-2-methylphenyl)-3-methyl-1,2-oxazol-4-yl]methanamine.

Molecular Properties

Compound Name[5-(4-tert-butyl-2-methylphenyl)-3-methyl-1,2-oxazol-4-yl]methanamine
PubChem CID82483679
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name[5-(4-tert-butyl-2-methylphenyl)-3-methyl-1,2-oxazol-4-yl]methanamine
SMILESCc1cc(C(C)(C)C)ccc1-c1onc(C)c1CN
InChIInChI=1S/C16H22N2O/c1-10-8-12(16(3,4)5)6-7-13(10)15-14(9-17)11(2)18-19-15/h6-8H,9,17H2,1-5H3
InChIKeyVBMQDCIBYYRZCF-UHFFFAOYSA-N
XLogP3.71
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [5-(4-tert-butyl-2-methylphenyl)-3-methyl-1,2-oxazol-4-yl]methanamine 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

2-[4-(aminomethyl)-3-methyl-1,2-oxazol-5-yl]phenol
CID 136765417
3-(4-tert-butyl-2-methylphenyl)-1,2-oxazol-5-amine
CID 82474477
[5-(5-tert-butyl-2-methylphenyl)-1,2-oxazol-4-yl]methanamine
CID 82294383
[3-methyl-5-(4-methylsulfanylphenyl)-1,2-oxazol-4-yl]methanamine
CID 82475978
4-(aminomethyl)-3-methyl-1,2-oxazol-5-amine
CID 82502400
2-[5-(4-ethoxy-2,5-dimethylphenyl)-3-methyl-1,2-oxazol-4-yl]ethanamine
CID 96669709
[5-(5-bromo-2-pyridinyl)-3-methyl-1,2-oxazol-4-yl]methanamine
CID 142610790
2-[5-(5-chloro-2-fluorophenyl)-3-methyl-1,2-oxazol-4-yl]ethanamine
CID 82482086
2-[3-(4-tert-butyl-2-methylphenyl)-1H-1,2,4-triazol-5-yl]ethanamine
CID 82483721
5-(4-tert-butylphenyl)-3,4-dimethyl-1,2-oxazole
CID 71396992
[4-(4-tert-butyl-2-methylphenyl)-5-methylthiophen-3-yl]methanamine
CID 96669316
2-[5-(2-chloro-4-methoxyphenyl)-3-methyl-1,2-oxazol-4-yl]ethanamine
CID 82487138

Frequently Asked Questions

What is the IUPAC name of [5-(4-tert-butyl-2-methylphenyl)-3-methyl-1,2-oxazol-4-yl]methanamine?
The IUPAC name of [5-(4-tert-butyl-2-methylphenyl)-3-methyl-1,2-oxazol-4-yl]methanamine (CID 82483679) is [5-(4-tert-butyl-2-methylphenyl)-3-methyl-1,2-oxazol-4-yl]methanamine.
What is the SMILES notation for [5-(4-tert-butyl-2-methylphenyl)-3-methyl-1,2-oxazol-4-yl]methanamine?
The canonical SMILES for [5-(4-tert-butyl-2-methylphenyl)-3-methyl-1,2-oxazol-4-yl]methanamine is Cc1cc(C(C)(C)C)ccc1-c1onc(C)c1CN.
What is the InChIKey of [5-(4-tert-butyl-2-methylphenyl)-3-methyl-1,2-oxazol-4-yl]methanamine?
The InChIKey is VBMQDCIBYYRZCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-10-8-12(16(3,4)5)6-7-13(10)15-14(9-17)11(2)18-19-15/h6-8H,9,17H2,1-5H3.
What are the key properties of [5-(4-tert-butyl-2-methylphenyl)-3-methyl-1,2-oxazol-4-yl]methanamine?
[5-(4-tert-butyl-2-methylphenyl)-3-methyl-1,2-oxazol-4-yl]methanamine has a molecular weight of 258.36 g/mol, XLogP of 3.71, 2 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-methylphenyl)-3-methyl-1,2-oxazol-4-yl]methanamine is sourced from PubChem (CID 82483679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).