4-[(2-methylphenyl)methyl]-1,3-oxazolidin-2-one

C11H13NO2 — CID 117158894

IUPAC4-[(2-methylphenyl)methyl]-1,3-oxazolidin-2-one
SMILESCc1ccccc1CC1COC(=O)N1
InChIInChI=1S/C11H13NO2/c1-8-4-2-3-5-9(8)6-10-7-14-11(13)12-10/h2-5,10H,6-7H2,1H3,(H,12,13)
InChIKeyXRJZJZCHSLHNQU-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.65
Rot. Bonds2

About 4-[(2-methylphenyl)methyl]-1,3-oxazolidin-2-one

4-[(2-methylphenyl)methyl]-1,3-oxazolidin-2-one (PubChem CID 117158894) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 4-[(2-methylphenyl)methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-[(2-methylphenyl)methyl]-1,3-oxazolidin-2-one
PubChem CID117158894
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name4-[(2-methylphenyl)methyl]-1,3-oxazolidin-2-one
SMILESCc1ccccc1CC1COC(=O)N1
InChIInChI=1S/C11H13NO2/c1-8-4-2-3-5-9(8)6-10-7-14-11(13)12-10/h2-5,10H,6-7H2,1H3,(H,12,13)
InChIKeyXRJZJZCHSLHNQU-UHFFFAOYSA-N
XLogP1.65
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-methylphenyl)methyl]-1,3-oxazolidin-2-one?
The IUPAC name of 4-[(2-methylphenyl)methyl]-1,3-oxazolidin-2-one (CID 117158894) is 4-[(2-methylphenyl)methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-[(2-methylphenyl)methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 4-[(2-methylphenyl)methyl]-1,3-oxazolidin-2-one is Cc1ccccc1CC1COC(=O)N1.
What is the InChIKey of 4-[(2-methylphenyl)methyl]-1,3-oxazolidin-2-one?
The InChIKey is XRJZJZCHSLHNQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c1-8-4-2-3-5-9(8)6-10-7-14-11(13)12-10/h2-5,10H,6-7H2,1H3,(H,12,13).
What are the key properties of 4-[(2-methylphenyl)methyl]-1,3-oxazolidin-2-one?
4-[(2-methylphenyl)methyl]-1,3-oxazolidin-2-one has a molecular weight of 191.23 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methylphenyl)methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 117158894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).