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

C12H15NO2 — CID 3046892

IUPAC5-[(2-ethylphenyl)methyl]-1,3-oxazolidin-2-one
SMILESCCc1ccccc1CC1CNC(=O)O1
InChIInChI=1S/C12H15NO2/c1-2-9-5-3-4-6-10(9)7-11-8-13-12(14)15-11/h3-6,11H,2,7-8H2,1H3,(H,13,14)
InChIKeyNVPGBJBIKHYPLL-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.90
Rot. Bonds3

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

5-[(2-ethylphenyl)methyl]-1,3-oxazolidin-2-one (PubChem CID 3046892) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 5-[(2-ethylphenyl)methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-[(2-ethylphenyl)methyl]-1,3-oxazolidin-2-one
PubChem CID3046892
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name5-[(2-ethylphenyl)methyl]-1,3-oxazolidin-2-one
SMILESCCc1ccccc1CC1CNC(=O)O1
InChIInChI=1S/C12H15NO2/c1-2-9-5-3-4-6-10(9)7-11-8-13-12(14)15-11/h3-6,11H,2,7-8H2,1H3,(H,13,14)
InChIKeyNVPGBJBIKHYPLL-UHFFFAOYSA-N
XLogP1.90
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-ethylphenyl)methyl]-1,3-oxazolidin-2-one?
The IUPAC name of 5-[(2-ethylphenyl)methyl]-1,3-oxazolidin-2-one (CID 3046892) is 5-[(2-ethylphenyl)methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-[(2-ethylphenyl)methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 5-[(2-ethylphenyl)methyl]-1,3-oxazolidin-2-one is CCc1ccccc1CC1CNC(=O)O1.
What is the InChIKey of 5-[(2-ethylphenyl)methyl]-1,3-oxazolidin-2-one?
The InChIKey is NVPGBJBIKHYPLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-2-9-5-3-4-6-10(9)7-11-8-13-12(14)15-11/h3-6,11H,2,7-8H2,1H3,(H,13,14).
What are the key properties of 5-[(2-ethylphenyl)methyl]-1,3-oxazolidin-2-one?
5-[(2-ethylphenyl)methyl]-1,3-oxazolidin-2-one has a molecular weight of 205.26 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-ethylphenyl)methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 3046892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).