3-methyl-5-phenyl-1,3-oxazolidin-2-imine

C10H12N2O — CID 3058501

IUPAC3-methyl-5-phenyl-1,3-oxazolidin-2-imine
SMILES[H]/N=C1\OC(c2ccccc2)CN1C
InChIInChI=1S/C10H12N2O/c1-12-7-9(13-10(12)11)8-5-3-2-4-6-8/h2-6,9,11H,7H2,1H3/b11-10-
InChIKeyPINRUEQFGKWBTO-KHPPLWFESA-N
MW176.22 g/mol
LogP1.62
Rot. Bonds1

About 3-methyl-5-phenyl-1,3-oxazolidin-2-imine

3-methyl-5-phenyl-1,3-oxazolidin-2-imine (PubChem CID 3058501) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is 3-methyl-5-phenyl-1,3-oxazolidin-2-imine.

Molecular Properties

Compound Name3-methyl-5-phenyl-1,3-oxazolidin-2-imine
PubChem CID3058501
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name3-methyl-5-phenyl-1,3-oxazolidin-2-imine
SMILES[H]/N=C1\OC(c2ccccc2)CN1C
InChIInChI=1S/C10H12N2O/c1-12-7-9(13-10(12)11)8-5-3-2-4-6-8/h2-6,9,11H,7H2,1H3/b11-10-
InChIKeyPINRUEQFGKWBTO-KHPPLWFESA-N
XLogP1.62
TPSA36.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 3-methyl-5-phenyl-1,3-oxazolidin-2-imine?
The IUPAC name of 3-methyl-5-phenyl-1,3-oxazolidin-2-imine (CID 3058501) is 3-methyl-5-phenyl-1,3-oxazolidin-2-imine.
What is the SMILES notation for 3-methyl-5-phenyl-1,3-oxazolidin-2-imine?
The canonical SMILES for 3-methyl-5-phenyl-1,3-oxazolidin-2-imine is [H]/N=C1\OC(c2ccccc2)CN1C.
What is the InChIKey of 3-methyl-5-phenyl-1,3-oxazolidin-2-imine?
The InChIKey is PINRUEQFGKWBTO-KHPPLWFESA-N. The full InChI is InChI=1S/C10H12N2O/c1-12-7-9(13-10(12)11)8-5-3-2-4-6-8/h2-6,9,11H,7H2,1H3/b11-10-.
What are the key properties of 3-methyl-5-phenyl-1,3-oxazolidin-2-imine?
3-methyl-5-phenyl-1,3-oxazolidin-2-imine has a molecular weight of 176.22 g/mol, XLogP of 1.62, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-phenyl-1,3-oxazolidin-2-imine is sourced from PubChem (CID 3058501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).