3-(4-methylphenyl)-1,2-oxazolidine

C10H13NO — CID 105432193

IUPAC3-(4-methylphenyl)-1,2-oxazolidine
SMILESCc1ccc(C2CCON2)cc1
InChIInChI=1S/C10H13NO/c1-8-2-4-9(5-3-8)10-6-7-12-11-10/h2-5,10-11H,6-7H2,1H3
InChIKeyFYXXPFUAWLJILO-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.96
Rot. Bonds1

About 3-(4-methylphenyl)-1,2-oxazolidine

3-(4-methylphenyl)-1,2-oxazolidine (PubChem CID 105432193) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is 3-(4-methylphenyl)-1,2-oxazolidine.

Molecular Properties

Compound Name3-(4-methylphenyl)-1,2-oxazolidine
PubChem CID105432193
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name3-(4-methylphenyl)-1,2-oxazolidine
SMILESCc1ccc(C2CCON2)cc1
InChIInChI=1S/C10H13NO/c1-8-2-4-9(5-3-8)10-6-7-12-11-10/h2-5,10-11H,6-7H2,1H3
InChIKeyFYXXPFUAWLJILO-UHFFFAOYSA-N
XLogP1.96
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-1,2-oxazolidine?
The IUPAC name of 3-(4-methylphenyl)-1,2-oxazolidine (CID 105432193) is 3-(4-methylphenyl)-1,2-oxazolidine.
What is the SMILES notation for 3-(4-methylphenyl)-1,2-oxazolidine?
The canonical SMILES for 3-(4-methylphenyl)-1,2-oxazolidine is Cc1ccc(C2CCON2)cc1.
What is the InChIKey of 3-(4-methylphenyl)-1,2-oxazolidine?
The InChIKey is FYXXPFUAWLJILO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO/c1-8-2-4-9(5-3-8)10-6-7-12-11-10/h2-5,10-11H,6-7H2,1H3.
What are the key properties of 3-(4-methylphenyl)-1,2-oxazolidine?
3-(4-methylphenyl)-1,2-oxazolidine has a molecular weight of 163.22 g/mol, XLogP of 1.96, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-1,2-oxazolidine is sourced from PubChem (CID 105432193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).