3-(3-ethylpentanoyl)-1,3-oxazolidin-2-one

C10H17NO3 — CID 15521538

IUPAC3-(3-ethylpentanoyl)-1,3-oxazolidin-2-one
SMILESCCC(CC)CC(=O)N1CCOC1=O
InChIInChI=1S/C10H17NO3/c1-3-8(4-2)7-9(12)11-5-6-14-10(11)13/h8H,3-7H2,1-2H3
InChIKeyXWDVVHJIIWYYNZ-UHFFFAOYSA-N
MW199.25 g/mol
LogP1.79
Rot. Bonds4

About 3-(3-ethylpentanoyl)-1,3-oxazolidin-2-one

3-(3-ethylpentanoyl)-1,3-oxazolidin-2-one (PubChem CID 15521538) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is 3-(3-ethylpentanoyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(3-ethylpentanoyl)-1,3-oxazolidin-2-one
PubChem CID15521538
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name3-(3-ethylpentanoyl)-1,3-oxazolidin-2-one
SMILESCCC(CC)CC(=O)N1CCOC1=O
InChIInChI=1S/C10H17NO3/c1-3-8(4-2)7-9(12)11-5-6-14-10(11)13/h8H,3-7H2,1-2H3
InChIKeyXWDVVHJIIWYYNZ-UHFFFAOYSA-N
XLogP1.79
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-methylbutanoyl)-1,3-oxazolidin-2-one
CID 10352137
3-(4-bromo-3-ethylhexanoyl)-1,3-oxazolidin-2-one
CID 15890022
3-[(3R)-3-sulfanylhexanoyl]-1,3-oxazolidin-2-one
CID 102035689
3-(4-bromo-3-propylhexanoyl)-1,3-oxazolidin-2-one
CID 134900760
3-(3-butylsulfanylbutanoyl)-1,3-oxazolidin-2-one
CID 11265081
2-[(3S)-1-oxo-1-(2-oxo-1,3-oxazolidin-3-yl)hexan-3-yl]propanedinitrile
CID 11345675
3-(3-cyclohexylbutanoyl)-1,3-oxazolidin-2-one
CID 102445066
3-(2-methylpropanoyl)-1,3-oxazolidin-2-one
CID 10397067
ethyl (2S,3S)-3-methyl-4-methylsulfanyl-4-oxo-2-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]butanoate
CID 15473921
3-[(3R)-3-[(2S)-5-oxo-2H-furan-2-yl]butanoyl]-1,3-oxazolidin-2-one
CID 101146579
1-(2-oxo-1,3-oxazolidin-3-yl)hexane-1,3-dione
CID 25146758
3-[(3R)-4-methyl-3-phenylpentanoyl]-1,3-oxazolidin-2-one
CID 11139889

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethylpentanoyl)-1,3-oxazolidin-2-one?
The IUPAC name of 3-(3-ethylpentanoyl)-1,3-oxazolidin-2-one (CID 15521538) is 3-(3-ethylpentanoyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(3-ethylpentanoyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(3-ethylpentanoyl)-1,3-oxazolidin-2-one is CCC(CC)CC(=O)N1CCOC1=O.
What is the InChIKey of 3-(3-ethylpentanoyl)-1,3-oxazolidin-2-one?
The InChIKey is XWDVVHJIIWYYNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-3-8(4-2)7-9(12)11-5-6-14-10(11)13/h8H,3-7H2,1-2H3.
What are the key properties of 3-(3-ethylpentanoyl)-1,3-oxazolidin-2-one?
3-(3-ethylpentanoyl)-1,3-oxazolidin-2-one has a molecular weight of 199.25 g/mol, XLogP of 1.79, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethylpentanoyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 15521538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).