5-methyl-5-[(2-methylphenyl)methyl]-1,3-oxazolidin-2-one

C12H15NO2 — CID 117158984

IUPAC5-methyl-5-[(2-methylphenyl)methyl]-1,3-oxazolidin-2-one
SMILESCc1ccccc1CC1(C)CNC(=O)O1
InChIInChI=1S/C12H15NO2/c1-9-5-3-4-6-10(9)7-12(2)8-13-11(14)15-12/h3-6H,7-8H2,1-2H3,(H,13,14)
InChIKeyAKDYUAQYIWWWJZ-UHFFFAOYSA-N
MW205.26 g/mol
LogP2.04
Rot. Bonds2

About 5-methyl-5-[(2-methylphenyl)methyl]-1,3-oxazolidin-2-one

5-methyl-5-[(2-methylphenyl)methyl]-1,3-oxazolidin-2-one (PubChem CID 117158984) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 5-methyl-5-[(2-methylphenyl)methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-methyl-5-[(2-methylphenyl)methyl]-1,3-oxazolidin-2-one
PubChem CID117158984
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name5-methyl-5-[(2-methylphenyl)methyl]-1,3-oxazolidin-2-one
SMILESCc1ccccc1CC1(C)CNC(=O)O1
InChIInChI=1S/C12H15NO2/c1-9-5-3-4-6-10(9)7-12(2)8-13-11(14)15-12/h3-6H,7-8H2,1-2H3,(H,13,14)
InChIKeyAKDYUAQYIWWWJZ-UHFFFAOYSA-N
XLogP2.04
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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4-[(2-methylphenyl)methyl]-1,3-oxazolidin-2-one
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4,4-dimethyl-2-[(2-methylphenyl)methyl]-1,2-oxazolidin-3-one
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Frequently Asked Questions

What is the IUPAC name of 5-methyl-5-[(2-methylphenyl)methyl]-1,3-oxazolidin-2-one?
The IUPAC name of 5-methyl-5-[(2-methylphenyl)methyl]-1,3-oxazolidin-2-one (CID 117158984) is 5-methyl-5-[(2-methylphenyl)methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-methyl-5-[(2-methylphenyl)methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 5-methyl-5-[(2-methylphenyl)methyl]-1,3-oxazolidin-2-one is Cc1ccccc1CC1(C)CNC(=O)O1.
What is the InChIKey of 5-methyl-5-[(2-methylphenyl)methyl]-1,3-oxazolidin-2-one?
The InChIKey is AKDYUAQYIWWWJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-9-5-3-4-6-10(9)7-12(2)8-13-11(14)15-12/h3-6H,7-8H2,1-2H3,(H,13,14).
What are the key properties of 5-methyl-5-[(2-methylphenyl)methyl]-1,3-oxazolidin-2-one?
5-methyl-5-[(2-methylphenyl)methyl]-1,3-oxazolidin-2-one has a molecular weight of 205.26 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-5-[(2-methylphenyl)methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 117158984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).