5-[(4-ethylphenyl)methyl]-1,3-oxazolidin-2-one

C12H15NO2 — CID 3046893

IUPAC5-[(4-ethylphenyl)methyl]-1,3-oxazolidin-2-one
SMILESCCc1ccc(CC2CNC(=O)O2)cc1
InChIInChI=1S/C12H15NO2/c1-2-9-3-5-10(6-4-9)7-11-8-13-12(14)15-11/h3-6,11H,2,7-8H2,1H3,(H,13,14)
InChIKeyQAVNOTNQZMRRFK-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.90
Rot. Bonds3

About 5-[(4-ethylphenyl)methyl]-1,3-oxazolidin-2-one

5-[(4-ethylphenyl)methyl]-1,3-oxazolidin-2-one (PubChem CID 3046893) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 5-[(4-ethylphenyl)methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-[(4-ethylphenyl)methyl]-1,3-oxazolidin-2-one
PubChem CID3046893
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name5-[(4-ethylphenyl)methyl]-1,3-oxazolidin-2-one
SMILESCCc1ccc(CC2CNC(=O)O2)cc1
InChIInChI=1S/C12H15NO2/c1-2-9-3-5-10(6-4-9)7-11-8-13-12(14)15-11/h3-6,11H,2,7-8H2,1H3,(H,13,14)
InChIKeyQAVNOTNQZMRRFK-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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Related Compounds

(4R)-4-phenyl-1,3-oxazolidin-2-one
CID 730425
(R)-4-Benzyl-2-oxazolidinone
CID 2734969
5-Phenyl-1,3-oxazolidin-2-one
CID 202193
2-Oxazolidinone, 4-phenyl-, (4S)-
CID 730424
(S)-4-Benzyl-2-oxazolidinone
CID 736225
4-Methyl-5-phenyl-2-oxazolidinone, (4S,5R)-
CID 853161
(S)-(+)-5,5-Dimethyl-4-phenyl-2-oxazolidinone
CID 2733820
(R)-(-)-5,5-Dimethyl-4-phenyl-2-oxazolidinone
CID 6950851
(4R)-4-(Diphenylmethyl)-1,3-oxazolidin-2-one
CID 9837924
(5S)-5-phenyl-1,3-oxazolidin-2-one
CID 10855806
(S)-(-)-4-Benzyl-5,5-dimethyl-2-oxazolidinone
CID 10921652
(R)-(+)-4-Benzyl-5,5-dimethyl-2-oxazolidinone
CID 11229494

Frequently Asked Questions

What is the IUPAC name of 5-[(4-ethylphenyl)methyl]-1,3-oxazolidin-2-one?
The IUPAC name of 5-[(4-ethylphenyl)methyl]-1,3-oxazolidin-2-one (CID 3046893) is 5-[(4-ethylphenyl)methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-[(4-ethylphenyl)methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 5-[(4-ethylphenyl)methyl]-1,3-oxazolidin-2-one is CCc1ccc(CC2CNC(=O)O2)cc1.
What is the InChIKey of 5-[(4-ethylphenyl)methyl]-1,3-oxazolidin-2-one?
The InChIKey is QAVNOTNQZMRRFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-2-9-3-5-10(6-4-9)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-[(4-ethylphenyl)methyl]-1,3-oxazolidin-2-one?
5-[(4-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-[(4-ethylphenyl)methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 3046893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).