(4-methylphenyl)-(1,2-oxazol-3-yl)methanimine

C11H10N2O — CID 89166139

IUPAC(4-methylphenyl)-(1,2-oxazol-3-yl)methanimine
SMILES[H]/N=C(/c1ccc(C)cc1)c1ccon1
InChIInChI=1S/C11H10N2O/c1-8-2-4-9(5-3-8)11(12)10-6-7-14-13-10/h2-7,12H,1H3/b12-11-
InChIKeyWVVWEZXVSQVANX-QXMHVHEDSA-N
MW186.21 g/mol
LogP2.40
Rot. Bonds2

About (4-methylphenyl)-(1,2-oxazol-3-yl)methanimine

(4-methylphenyl)-(1,2-oxazol-3-yl)methanimine (PubChem CID 89166139) has the molecular formula C11H10N2O and a molecular weight of 186.21 g/mol. Its IUPAC name is (4-methylphenyl)-(1,2-oxazol-3-yl)methanimine.

Molecular Properties

Compound Name(4-methylphenyl)-(1,2-oxazol-3-yl)methanimine
PubChem CID89166139
Molecular FormulaC11H10N2O
Molecular Weight186.21 g/mol
Exact Mass186.08
IUPAC Name(4-methylphenyl)-(1,2-oxazol-3-yl)methanimine
SMILES[H]/N=C(/c1ccc(C)cc1)c1ccon1
InChIInChI=1S/C11H10N2O/c1-8-2-4-9(5-3-8)11(12)10-6-7-14-13-10/h2-7,12H,1H3/b12-11-
InChIKeyWVVWEZXVSQVANX-QXMHVHEDSA-N
XLogP2.40
TPSA49.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)-(1,2-oxazol-3-yl)methanimine?
The IUPAC name of (4-methylphenyl)-(1,2-oxazol-3-yl)methanimine (CID 89166139) is (4-methylphenyl)-(1,2-oxazol-3-yl)methanimine.
What is the SMILES notation for (4-methylphenyl)-(1,2-oxazol-3-yl)methanimine?
The canonical SMILES for (4-methylphenyl)-(1,2-oxazol-3-yl)methanimine is [H]/N=C(/c1ccc(C)cc1)c1ccon1.
What is the InChIKey of (4-methylphenyl)-(1,2-oxazol-3-yl)methanimine?
The InChIKey is WVVWEZXVSQVANX-QXMHVHEDSA-N. The full InChI is InChI=1S/C11H10N2O/c1-8-2-4-9(5-3-8)11(12)10-6-7-14-13-10/h2-7,12H,1H3/b12-11-.
What are the key properties of (4-methylphenyl)-(1,2-oxazol-3-yl)methanimine?
(4-methylphenyl)-(1,2-oxazol-3-yl)methanimine has a molecular weight of 186.21 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)-(1,2-oxazol-3-yl)methanimine is sourced from PubChem (CID 89166139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).