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

C15H20N2O — CID 82294383

IUPAC[5-(5-tert-butyl-2-methylphenyl)-1,2-oxazol-4-yl]methanamine
SMILESCc1ccc(C(C)(C)C)cc1-c1oncc1CN
InChIInChI=1S/C15H20N2O/c1-10-5-6-12(15(2,3)4)7-13(10)14-11(8-16)9-17-18-14/h5-7,9H,8,16H2,1-4H3
InChIKeyWSZDBSVLVVKYOJ-UHFFFAOYSA-N
MW244.34 g/mol
LogP3.41
Rot. Bonds2

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

[5-(5-tert-butyl-2-methylphenyl)-1,2-oxazol-4-yl]methanamine (PubChem CID 82294383) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is [5-(5-tert-butyl-2-methylphenyl)-1,2-oxazol-4-yl]methanamine.

Molecular Properties

Compound Name[5-(5-tert-butyl-2-methylphenyl)-1,2-oxazol-4-yl]methanamine
PubChem CID82294383
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name[5-(5-tert-butyl-2-methylphenyl)-1,2-oxazol-4-yl]methanamine
SMILESCc1ccc(C(C)(C)C)cc1-c1oncc1CN
InChIInChI=1S/C15H20N2O/c1-10-5-6-12(15(2,3)4)7-13(10)14-11(8-16)9-17-18-14/h5-7,9H,8,16H2,1-4H3
InChIKeyWSZDBSVLVVKYOJ-UHFFFAOYSA-N
XLogP3.41
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-(5-tert-butyl-2-methylphenyl)-1,2-oxazol-4-yl]methanamine?
The IUPAC name of [5-(5-tert-butyl-2-methylphenyl)-1,2-oxazol-4-yl]methanamine (CID 82294383) is [5-(5-tert-butyl-2-methylphenyl)-1,2-oxazol-4-yl]methanamine.
What is the SMILES notation for [5-(5-tert-butyl-2-methylphenyl)-1,2-oxazol-4-yl]methanamine?
The canonical SMILES for [5-(5-tert-butyl-2-methylphenyl)-1,2-oxazol-4-yl]methanamine is Cc1ccc(C(C)(C)C)cc1-c1oncc1CN.
What is the InChIKey of [5-(5-tert-butyl-2-methylphenyl)-1,2-oxazol-4-yl]methanamine?
The InChIKey is WSZDBSVLVVKYOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-10-5-6-12(15(2,3)4)7-13(10)14-11(8-16)9-17-18-14/h5-7,9H,8,16H2,1-4H3.
What are the key properties of [5-(5-tert-butyl-2-methylphenyl)-1,2-oxazol-4-yl]methanamine?
[5-(5-tert-butyl-2-methylphenyl)-1,2-oxazol-4-yl]methanamine has a molecular weight of 244.34 g/mol, XLogP of 3.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(5-tert-butyl-2-methylphenyl)-1,2-oxazol-4-yl]methanamine is sourced from PubChem (CID 82294383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).