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

C11H13NO2 — CID 145296557

IUPAC2-[(4-methylphenyl)methyl]-1,2-oxazolidin-3-one
SMILESCc1ccc(CN2OCCC2=O)cc1
InChIInChI=1S/C11H13NO2/c1-9-2-4-10(5-3-9)8-12-11(13)6-7-14-12/h2-5H,6-8H2,1H3
InChIKeyLEGMKHNTZXFWOC-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.66
Rot. Bonds2

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

2-[(4-methylphenyl)methyl]-1,2-oxazolidin-3-one (PubChem CID 145296557) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 2-[(4-methylphenyl)methyl]-1,2-oxazolidin-3-one.

Molecular Properties

Compound Name2-[(4-methylphenyl)methyl]-1,2-oxazolidin-3-one
PubChem CID145296557
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name2-[(4-methylphenyl)methyl]-1,2-oxazolidin-3-one
SMILESCc1ccc(CN2OCCC2=O)cc1
InChIInChI=1S/C11H13NO2/c1-9-2-4-10(5-3-9)8-12-11(13)6-7-14-12/h2-5H,6-8H2,1H3
InChIKeyLEGMKHNTZXFWOC-UHFFFAOYSA-N
XLogP1.66
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylphenyl)methyl]-1,2-oxazolidin-3-one?
The IUPAC name of 2-[(4-methylphenyl)methyl]-1,2-oxazolidin-3-one (CID 145296557) is 2-[(4-methylphenyl)methyl]-1,2-oxazolidin-3-one.
What is the SMILES notation for 2-[(4-methylphenyl)methyl]-1,2-oxazolidin-3-one?
The canonical SMILES for 2-[(4-methylphenyl)methyl]-1,2-oxazolidin-3-one is Cc1ccc(CN2OCCC2=O)cc1.
What is the InChIKey of 2-[(4-methylphenyl)methyl]-1,2-oxazolidin-3-one?
The InChIKey is LEGMKHNTZXFWOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c1-9-2-4-10(5-3-9)8-12-11(13)6-7-14-12/h2-5H,6-8H2,1H3.
What are the key properties of 2-[(4-methylphenyl)methyl]-1,2-oxazolidin-3-one?
2-[(4-methylphenyl)methyl]-1,2-oxazolidin-3-one has a molecular weight of 191.23 g/mol, XLogP of 1.66, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylphenyl)methyl]-1,2-oxazolidin-3-one is sourced from PubChem (CID 145296557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).