4-ethyl-3-propanoyl-1,3-oxazolidin-2-one

C8H13NO3 — CID 71379112

IUPAC4-ethyl-3-propanoyl-1,3-oxazolidin-2-one
SMILESCCC(=O)N1C(=O)OCC1CC
InChIInChI=1S/C8H13NO3/c1-3-6-5-12-8(11)9(6)7(10)4-2/h6H,3-5H2,1-2H3
InChIKeyZQEDTNMVEYIFIU-UHFFFAOYSA-N
MW171.20 g/mol
LogP1.15
Rot. Bonds2

About 4-ethyl-3-propanoyl-1,3-oxazolidin-2-one

4-ethyl-3-propanoyl-1,3-oxazolidin-2-one (PubChem CID 71379112) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is 4-ethyl-3-propanoyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-ethyl-3-propanoyl-1,3-oxazolidin-2-one
PubChem CID71379112
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC Name4-ethyl-3-propanoyl-1,3-oxazolidin-2-one
SMILESCCC(=O)N1C(=O)OCC1CC
InChIInChI=1S/C8H13NO3/c1-3-6-5-12-8(11)9(6)7(10)4-2/h6H,3-5H2,1-2H3
InChIKeyZQEDTNMVEYIFIU-UHFFFAOYSA-N
XLogP1.15
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-3-propanoyl-1,3-oxazolidin-2-one
CID 91603968
4-ethyl-3-[3-(1-methylpiperidin-4-yl)propanoyl]-1,3-oxazolidin-2-one
CID 22982721
(4S)-4-[(2E,4Z)-hepta-2,4-dien-2-yl]-3-propanoyl-1,3-oxazolidin-2-one
CID 143075179
[(4R)-4-ethyl-2-oxo-1,3-oxazolidin-3-yl]methyl propanoate
CID 10512273
(2S)-2-benzyl-1-[(4R)-4-ethyl-2-oxo-1,3-oxazolidin-3-yl]pentane-1,4-dione
CID 59100324
(4R)-4-benzyl-3-[(2R,3S)-3-hydroxy-2-methylpentanoyl]-1,3-oxazolidin-2-one;(4R)-4-benzyl-3-propanoyl-1,3-oxazolidin-2-one
CID 158224516
1-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]hexane-1,4-dione
CID 176582828
(4S)-4-ethyl-3-[(2S)-2-methyl-3-(1-methylpiperidin-4-yl)propanoyl]-1,3-oxazolidin-2-one
CID 59045502
ethyl (2R)-2-(dibenzylamino)-4-[(4R)-4-ethyl-2-oxo-1,3-oxazolidin-3-yl]-4-oxobutanoate
CID 102477687
(4S)-4-ethyl-3-[(2S)-2-hydroxy-3-[(4S)-2,2,3-trimethyl-1,3-oxazolidin-4-yl]propanoyl]-1,3-oxazolidin-2-one
CID 59079553
(4S)-3-(2-chloropropanoyl)-4-(2-methylpropyl)-1,3-oxazolidin-2-one
CID 139669354
(4R)-4-benzyl-3-[2-(2-ethylphenyl)acetyl]-1,3-oxazolidin-2-one
CID 131876215

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3-propanoyl-1,3-oxazolidin-2-one?
The IUPAC name of 4-ethyl-3-propanoyl-1,3-oxazolidin-2-one (CID 71379112) is 4-ethyl-3-propanoyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-ethyl-3-propanoyl-1,3-oxazolidin-2-one?
The canonical SMILES for 4-ethyl-3-propanoyl-1,3-oxazolidin-2-one is CCC(=O)N1C(=O)OCC1CC.
What is the InChIKey of 4-ethyl-3-propanoyl-1,3-oxazolidin-2-one?
The InChIKey is ZQEDTNMVEYIFIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3/c1-3-6-5-12-8(11)9(6)7(10)4-2/h6H,3-5H2,1-2H3.
What are the key properties of 4-ethyl-3-propanoyl-1,3-oxazolidin-2-one?
4-ethyl-3-propanoyl-1,3-oxazolidin-2-one has a molecular weight of 171.20 g/mol, XLogP of 1.15, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3-propanoyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 71379112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).