2-(2-oxo-1,3-oxazolidin-3-yl)-N-(1-phenylethyl)acetamide

C13H16N2O3 — CID 110686496

IUPAC2-(2-oxo-1,3-oxazolidin-3-yl)-N-(1-phenylethyl)acetamide
SMILESCC(NC(=O)CN1CCOC1=O)c1ccccc1
InChIInChI=1S/C13H16N2O3/c1-10(11-5-3-2-4-6-11)14-12(16)9-15-7-8-18-13(15)17/h2-6,10H,7-9H2,1H3,(H,14,16)
InChIKeyCDKNIJFPGZLHKI-UHFFFAOYSA-N
MW248.28 g/mol
LogP1.32
Rot. Bonds4

About 2-(2-oxo-1,3-oxazolidin-3-yl)-N-(1-phenylethyl)acetamide

2-(2-oxo-1,3-oxazolidin-3-yl)-N-(1-phenylethyl)acetamide (PubChem CID 110686496) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 2-(2-oxo-1,3-oxazolidin-3-yl)-N-(1-phenylethyl)acetamide.

Molecular Properties

Compound Name2-(2-oxo-1,3-oxazolidin-3-yl)-N-(1-phenylethyl)acetamide
PubChem CID110686496
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name2-(2-oxo-1,3-oxazolidin-3-yl)-N-(1-phenylethyl)acetamide
SMILESCC(NC(=O)CN1CCOC1=O)c1ccccc1
InChIInChI=1S/C13H16N2O3/c1-10(11-5-3-2-4-6-11)14-12(16)9-15-7-8-18-13(15)17/h2-6,10H,7-9H2,1H3,(H,14,16)
InChIKeyCDKNIJFPGZLHKI-UHFFFAOYSA-N
XLogP1.32
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-oxo-1,3-oxazolidin-3-yl)-N-(1-phenylethyl)propanamide
CID 47377794
2-(2-oxo-1,3-oxazolidin-3-yl)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide
CID 91783278
1-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-3-[(1R)-1-phenylethyl]urea
CID 94801412
2-(2-oxo-1,3-oxazolidin-3-yl)-N-[(2S)-2-phenyl-2-piperidin-1-ylethyl]acetamide
CID 99932037
2-(4-oxo-1,3-thiazolidin-3-yl)-N-[1-(4-phenylphenyl)ethyl]acetamide
CID 42906380
N-(1-phenylethyl)-2-piperazin-1-ylacetamide
CID 23080516
N-(1-phenylethyl)-2-pyrrol-1-ylacetamide
CID 20880526
2-(2-oxo-1,3-oxazolidin-3-yl)-N-[(1R)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]acetamide
CID 125440955
3-(2-oxo-1,3-oxazolidin-3-yl)-N-[(2S)-2-phenylbutyl]propanamide
CID 94596926
2-[4,7-bis[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-1,4,7,10-tetrazacyclododec-1-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 11285246
2-(3-oxo-1,4-benzoxazin-4-yl)-N-(1-phenylethyl)acetamide
CID 3239944
2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-(1-phenylethyl)acetamide
CID 108794915

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-1,3-oxazolidin-3-yl)-N-(1-phenylethyl)acetamide?
The IUPAC name of 2-(2-oxo-1,3-oxazolidin-3-yl)-N-(1-phenylethyl)acetamide (CID 110686496) is 2-(2-oxo-1,3-oxazolidin-3-yl)-N-(1-phenylethyl)acetamide.
What is the SMILES notation for 2-(2-oxo-1,3-oxazolidin-3-yl)-N-(1-phenylethyl)acetamide?
The canonical SMILES for 2-(2-oxo-1,3-oxazolidin-3-yl)-N-(1-phenylethyl)acetamide is CC(NC(=O)CN1CCOC1=O)c1ccccc1.
What is the InChIKey of 2-(2-oxo-1,3-oxazolidin-3-yl)-N-(1-phenylethyl)acetamide?
The InChIKey is CDKNIJFPGZLHKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-10(11-5-3-2-4-6-11)14-12(16)9-15-7-8-18-13(15)17/h2-6,10H,7-9H2,1H3,(H,14,16).
What are the key properties of 2-(2-oxo-1,3-oxazolidin-3-yl)-N-(1-phenylethyl)acetamide?
2-(2-oxo-1,3-oxazolidin-3-yl)-N-(1-phenylethyl)acetamide has a molecular weight of 248.28 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-1,3-oxazolidin-3-yl)-N-(1-phenylethyl)acetamide is sourced from PubChem (CID 110686496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).