2-methylimino-1-[2-(4-methylphenyl)-1,3-oxazol-4-yl]ethanol

C13H14N2O2 — CID 163570707

IUPAC2-methylimino-1-[2-(4-methylphenyl)-1,3-oxazol-4-yl]ethanol
SMILESC/N=C/C(O)c1coc(-c2ccc(C)cc2)n1
InChIInChI=1S/C13H14N2O2/c1-9-3-5-10(6-4-9)13-15-11(8-17-13)12(16)7-14-2/h3-8,12,16H,1-2H3/b14-7+
InChIKeyFZBUAOCSVGGGFU-VGOFMYFVSA-N
MW230.27 g/mol
LogP2.38
Rot. Bonds3

About 2-methylimino-1-[2-(4-methylphenyl)-1,3-oxazol-4-yl]ethanol

2-methylimino-1-[2-(4-methylphenyl)-1,3-oxazol-4-yl]ethanol (PubChem CID 163570707) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 2-methylimino-1-[2-(4-methylphenyl)-1,3-oxazol-4-yl]ethanol.

Molecular Properties

Compound Name2-methylimino-1-[2-(4-methylphenyl)-1,3-oxazol-4-yl]ethanol
PubChem CID163570707
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name2-methylimino-1-[2-(4-methylphenyl)-1,3-oxazol-4-yl]ethanol
SMILESC/N=C/C(O)c1coc(-c2ccc(C)cc2)n1
InChIInChI=1S/C13H14N2O2/c1-9-3-5-10(6-4-9)13-15-11(8-17-13)12(16)7-14-2/h3-8,12,16H,1-2H3/b14-7+
InChIKeyFZBUAOCSVGGGFU-VGOFMYFVSA-N
XLogP2.38
TPSA58.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 2-methylimino-1-[2-(4-methylphenyl)-1,3-oxazol-4-yl]ethanol?
The IUPAC name of 2-methylimino-1-[2-(4-methylphenyl)-1,3-oxazol-4-yl]ethanol (CID 163570707) is 2-methylimino-1-[2-(4-methylphenyl)-1,3-oxazol-4-yl]ethanol.
What is the SMILES notation for 2-methylimino-1-[2-(4-methylphenyl)-1,3-oxazol-4-yl]ethanol?
The canonical SMILES for 2-methylimino-1-[2-(4-methylphenyl)-1,3-oxazol-4-yl]ethanol is C/N=C/C(O)c1coc(-c2ccc(C)cc2)n1.
What is the InChIKey of 2-methylimino-1-[2-(4-methylphenyl)-1,3-oxazol-4-yl]ethanol?
The InChIKey is FZBUAOCSVGGGFU-VGOFMYFVSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-9-3-5-10(6-4-9)13-15-11(8-17-13)12(16)7-14-2/h3-8,12,16H,1-2H3/b14-7+.
What are the key properties of 2-methylimino-1-[2-(4-methylphenyl)-1,3-oxazol-4-yl]ethanol?
2-methylimino-1-[2-(4-methylphenyl)-1,3-oxazol-4-yl]ethanol has a molecular weight of 230.27 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylimino-1-[2-(4-methylphenyl)-1,3-oxazol-4-yl]ethanol is sourced from PubChem (CID 163570707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).