(4-tert-butylphenyl)-(1,3-oxazolidin-3-yl)methanimine

C14H20N2O — CID 23384269

IUPAC(4-tert-butylphenyl)-(1,3-oxazolidin-3-yl)methanimine
SMILES[H]/N=C(/c1ccc(C(C)(C)C)cc1)N1CCOC1
InChIInChI=1S/C14H20N2O/c1-14(2,3)12-6-4-11(5-7-12)13(15)16-8-9-17-10-16/h4-7,15H,8-10H2,1-3H3/b15-13-
InChIKeyYRTOHUZNJYERGB-SQFISAMPSA-N
MW232.33 g/mol
LogP2.60
Rot. Bonds1

About (4-tert-butylphenyl)-(1,3-oxazolidin-3-yl)methanimine

(4-tert-butylphenyl)-(1,3-oxazolidin-3-yl)methanimine (PubChem CID 23384269) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is (4-tert-butylphenyl)-(1,3-oxazolidin-3-yl)methanimine.

Molecular Properties

Compound Name(4-tert-butylphenyl)-(1,3-oxazolidin-3-yl)methanimine
PubChem CID23384269
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name(4-tert-butylphenyl)-(1,3-oxazolidin-3-yl)methanimine
SMILES[H]/N=C(/c1ccc(C(C)(C)C)cc1)N1CCOC1
InChIInChI=1S/C14H20N2O/c1-14(2,3)12-6-4-11(5-7-12)13(15)16-8-9-17-10-16/h4-7,15H,8-10H2,1-3H3/b15-13-
InChIKeyYRTOHUZNJYERGB-SQFISAMPSA-N
XLogP2.60
TPSA36.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-tert-butylphenyl)-(1,3-oxazolidin-3-yl)methanimine?
The IUPAC name of (4-tert-butylphenyl)-(1,3-oxazolidin-3-yl)methanimine (CID 23384269) is (4-tert-butylphenyl)-(1,3-oxazolidin-3-yl)methanimine.
What is the SMILES notation for (4-tert-butylphenyl)-(1,3-oxazolidin-3-yl)methanimine?
The canonical SMILES for (4-tert-butylphenyl)-(1,3-oxazolidin-3-yl)methanimine is [H]/N=C(/c1ccc(C(C)(C)C)cc1)N1CCOC1.
What is the InChIKey of (4-tert-butylphenyl)-(1,3-oxazolidin-3-yl)methanimine?
The InChIKey is YRTOHUZNJYERGB-SQFISAMPSA-N. The full InChI is InChI=1S/C14H20N2O/c1-14(2,3)12-6-4-11(5-7-12)13(15)16-8-9-17-10-16/h4-7,15H,8-10H2,1-3H3/b15-13-.
What are the key properties of (4-tert-butylphenyl)-(1,3-oxazolidin-3-yl)methanimine?
(4-tert-butylphenyl)-(1,3-oxazolidin-3-yl)methanimine has a molecular weight of 232.33 g/mol, XLogP of 2.60, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylphenyl)-(1,3-oxazolidin-3-yl)methanimine is sourced from PubChem (CID 23384269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).