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

C17H24N2O2 — CID 62452181

IUPAC[5-[(2-tert-butyl-4-ethylphenoxy)methyl]-1,2-oxazol-3-yl]methanamine
SMILESCCc1ccc(OCc2cc(CN)no2)c(C(C)(C)C)c1
InChIInChI=1S/C17H24N2O2/c1-5-12-6-7-16(15(8-12)17(2,3)4)20-11-14-9-13(10-18)19-21-14/h6-9H,5,10-11,18H2,1-4H3
InChIKeyIIIFOJNAFHWWSJ-UHFFFAOYSA-N
MW288.39 g/mol
LogP3.57
Rot. Bonds5

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

[5-[(2-tert-butyl-4-ethylphenoxy)methyl]-1,2-oxazol-3-yl]methanamine (PubChem CID 62452181) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is [5-[(2-tert-butyl-4-ethylphenoxy)methyl]-1,2-oxazol-3-yl]methanamine.

Molecular Properties

Compound Name[5-[(2-tert-butyl-4-ethylphenoxy)methyl]-1,2-oxazol-3-yl]methanamine
PubChem CID62452181
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name[5-[(2-tert-butyl-4-ethylphenoxy)methyl]-1,2-oxazol-3-yl]methanamine
SMILESCCc1ccc(OCc2cc(CN)no2)c(C(C)(C)C)c1
InChIInChI=1S/C17H24N2O2/c1-5-12-6-7-16(15(8-12)17(2,3)4)20-11-14-9-13(10-18)19-21-14/h6-9H,5,10-11,18H2,1-4H3
InChIKeyIIIFOJNAFHWWSJ-UHFFFAOYSA-N
XLogP3.57
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-[(2-tert-butyl-4-ethylphenoxy)methyl]-1,2-oxazol-3-yl]methanamine?
The IUPAC name of [5-[(2-tert-butyl-4-ethylphenoxy)methyl]-1,2-oxazol-3-yl]methanamine (CID 62452181) is [5-[(2-tert-butyl-4-ethylphenoxy)methyl]-1,2-oxazol-3-yl]methanamine.
What is the SMILES notation for [5-[(2-tert-butyl-4-ethylphenoxy)methyl]-1,2-oxazol-3-yl]methanamine?
The canonical SMILES for [5-[(2-tert-butyl-4-ethylphenoxy)methyl]-1,2-oxazol-3-yl]methanamine is CCc1ccc(OCc2cc(CN)no2)c(C(C)(C)C)c1.
What is the InChIKey of [5-[(2-tert-butyl-4-ethylphenoxy)methyl]-1,2-oxazol-3-yl]methanamine?
The InChIKey is IIIFOJNAFHWWSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-5-12-6-7-16(15(8-12)17(2,3)4)20-11-14-9-13(10-18)19-21-14/h6-9H,5,10-11,18H2,1-4H3.
What are the key properties of [5-[(2-tert-butyl-4-ethylphenoxy)methyl]-1,2-oxazol-3-yl]methanamine?
[5-[(2-tert-butyl-4-ethylphenoxy)methyl]-1,2-oxazol-3-yl]methanamine has a molecular weight of 288.39 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(2-tert-butyl-4-ethylphenoxy)methyl]-1,2-oxazol-3-yl]methanamine is sourced from PubChem (CID 62452181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).