3-(4-methylpentanoyl)-1,3-oxazolidin-2-one

C9H15NO3 — CID 24790368

IUPAC3-(4-methylpentanoyl)-1,3-oxazolidin-2-one
SMILESCC(C)CCC(=O)N1CCOC1=O
InChIInChI=1S/C9H15NO3/c1-7(2)3-4-8(11)10-5-6-13-9(10)12/h7H,3-6H2,1-2H3
InChIKeyCMABZQZBQTXVGJ-UHFFFAOYSA-N
MW185.22 g/mol
LogP1.40
Rot. Bonds3

About 3-(4-methylpentanoyl)-1,3-oxazolidin-2-one

3-(4-methylpentanoyl)-1,3-oxazolidin-2-one (PubChem CID 24790368) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is 3-(4-methylpentanoyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(4-methylpentanoyl)-1,3-oxazolidin-2-one
PubChem CID24790368
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name3-(4-methylpentanoyl)-1,3-oxazolidin-2-one
SMILESCC(C)CCC(=O)N1CCOC1=O
InChIInChI=1S/C9H15NO3/c1-7(2)3-4-8(11)10-5-6-13-9(10)12/h7H,3-6H2,1-2H3
InChIKeyCMABZQZBQTXVGJ-UHFFFAOYSA-N
XLogP1.40
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-4-(1-Methylethyl)-3-(5,5,5-trifluoro-1-oxopentyl)-2-oxazolidinone
CID 68315009
(4S)-3-[(2S)-2-fluorohexanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 135055249
(4S)-3-Butanoyl-4-(propan-2-yl)-1,3-oxazolidin-2-one
CID 10330387
(S)-4-Isopropyl-3-(3-methylbutanoyl)oxazolidin-2-one
CID 10856824
3-(3,4-Dimethylpentanoyl)-1,3-oxazolidin-2-one
CID 11412972
(4S)-3-[(2S)-2-methylhexanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 11615658
3-Hexanoyl-1,3-oxazolidin-2-one
CID 12292569
(4S)-3-hexanoyl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 14939235
4-Propan-2-yl-3-(5,5,5-trifluoropentanoyl)-1,3-oxazolidin-2-one
CID 77476426
3-(4-Fluoro-3-methylbutanoyl)-1,3-oxazolidin-2-one
CID 102326068
3-[3-(Fluoromethyl)hexanoyl]-1,3-oxazolidin-2-one
CID 140119071
3-[3-(Fluoromethyl)pentanoyl]-1,3-oxazolidin-2-one
CID 140119075

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpentanoyl)-1,3-oxazolidin-2-one?
The IUPAC name of 3-(4-methylpentanoyl)-1,3-oxazolidin-2-one (CID 24790368) is 3-(4-methylpentanoyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(4-methylpentanoyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(4-methylpentanoyl)-1,3-oxazolidin-2-one is CC(C)CCC(=O)N1CCOC1=O.
What is the InChIKey of 3-(4-methylpentanoyl)-1,3-oxazolidin-2-one?
The InChIKey is CMABZQZBQTXVGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-7(2)3-4-8(11)10-5-6-13-9(10)12/h7H,3-6H2,1-2H3.
What are the key properties of 3-(4-methylpentanoyl)-1,3-oxazolidin-2-one?
3-(4-methylpentanoyl)-1,3-oxazolidin-2-one has a molecular weight of 185.22 g/mol, XLogP of 1.40, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpentanoyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 24790368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).