2-[5-(5-tert-butyl-2-methylphenyl)-1,3-oxazol-2-yl]ethanamine

C16H22N2O — CID 82049649

IUPAC2-[5-(5-tert-butyl-2-methylphenyl)-1,3-oxazol-2-yl]ethanamine
SMILESCc1ccc(C(C)(C)C)cc1-c1cnc(CCN)o1
InChIInChI=1S/C16H22N2O/c1-11-5-6-12(16(2,3)4)9-13(11)14-10-18-15(19-14)7-8-17/h5-6,9-10H,7-8,17H2,1-4H3
InChIKeyXBCXEDFUIORULC-UHFFFAOYSA-N
MW258.37 g/mol
LogP3.45
Rot. Bonds3

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

2-[5-(5-tert-butyl-2-methylphenyl)-1,3-oxazol-2-yl]ethanamine (PubChem CID 82049649) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is 2-[5-(5-tert-butyl-2-methylphenyl)-1,3-oxazol-2-yl]ethanamine.

Molecular Properties

Compound Name2-[5-(5-tert-butyl-2-methylphenyl)-1,3-oxazol-2-yl]ethanamine
PubChem CID82049649
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC Name2-[5-(5-tert-butyl-2-methylphenyl)-1,3-oxazol-2-yl]ethanamine
SMILESCc1ccc(C(C)(C)C)cc1-c1cnc(CCN)o1
InChIInChI=1S/C16H22N2O/c1-11-5-6-12(16(2,3)4)9-13(11)14-10-18-15(19-14)7-8-17/h5-6,9-10H,7-8,17H2,1-4H3
InChIKeyXBCXEDFUIORULC-UHFFFAOYSA-N
XLogP3.45
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-(2-methylfuran-3-yl)-1,3-oxazol-2-yl]ethanamine
CID 65179075
2-[5-(5-tert-butyl-2-methylphenyl)-1H-imidazol-2-yl]ethanamine
CID 82300135
N-[2-[5-(5-bromo-2-methylphenyl)-1,3-oxazol-2-yl]ethyl]-2-methylpropan-2-amine
CID 65309326
3-[5-(5-chloro-2-methylphenyl)-1,3-oxazol-2-yl]-N-methylpropan-1-amine
CID 82891205
2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]ethanamine
CID 65178588
2-(5-tert-butyl-1,3-oxazol-2-yl)ethanamine;hydrochloride
CID 68754663
2-[5-(4-methoxy-2,6-dimethylphenyl)-1,3-oxazol-2-yl]ethanamine
CID 82049351
2-[5-(2-fluoro-4-methoxyphenyl)-1,3-oxazol-2-yl]ethanamine
CID 102885541
3-[5-(5-chloro-2-methylphenyl)-1,3-oxazol-2-yl]-N-propan-2-ylpropan-1-amine
CID 82891430
2-[5-(2-bromo-5-methoxyphenyl)-1,3-oxazol-2-yl]ethanamine
CID 65179079
2-[5-(5-tert-butyl-2-methylphenyl)-1,3,4-thiadiazol-2-yl]ethanamine
CID 98019634
N-[2-[5-(5-bromo-2-methylphenyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine
CID 65309183

Frequently Asked Questions

What is the IUPAC name of 2-[5-(5-tert-butyl-2-methylphenyl)-1,3-oxazol-2-yl]ethanamine?
The IUPAC name of 2-[5-(5-tert-butyl-2-methylphenyl)-1,3-oxazol-2-yl]ethanamine (CID 82049649) is 2-[5-(5-tert-butyl-2-methylphenyl)-1,3-oxazol-2-yl]ethanamine.
What is the SMILES notation for 2-[5-(5-tert-butyl-2-methylphenyl)-1,3-oxazol-2-yl]ethanamine?
The canonical SMILES for 2-[5-(5-tert-butyl-2-methylphenyl)-1,3-oxazol-2-yl]ethanamine is Cc1ccc(C(C)(C)C)cc1-c1cnc(CCN)o1.
What is the InChIKey of 2-[5-(5-tert-butyl-2-methylphenyl)-1,3-oxazol-2-yl]ethanamine?
The InChIKey is XBCXEDFUIORULC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-11-5-6-12(16(2,3)4)9-13(11)14-10-18-15(19-14)7-8-17/h5-6,9-10H,7-8,17H2,1-4H3.
What are the key properties of 2-[5-(5-tert-butyl-2-methylphenyl)-1,3-oxazol-2-yl]ethanamine?
2-[5-(5-tert-butyl-2-methylphenyl)-1,3-oxazol-2-yl]ethanamine has a molecular weight of 258.37 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(5-tert-butyl-2-methylphenyl)-1,3-oxazol-2-yl]ethanamine is sourced from PubChem (CID 82049649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).