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

C13H21NO3 — CID 102445066

IUPAC3-(3-cyclohexylbutanoyl)-1,3-oxazolidin-2-one
SMILESCC(CC(=O)N1CCOC1=O)C1CCCCC1
InChIInChI=1S/C13H21NO3/c1-10(11-5-3-2-4-6-11)9-12(15)14-7-8-17-13(14)16/h10-11H,2-9H2,1H3
InChIKeyBKKIUNNBGVXRQQ-UHFFFAOYSA-N
MW239.31 g/mol
LogP2.57
Rot. Bonds3

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

3-(3-cyclohexylbutanoyl)-1,3-oxazolidin-2-one (PubChem CID 102445066) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is 3-(3-cyclohexylbutanoyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(3-cyclohexylbutanoyl)-1,3-oxazolidin-2-one
PubChem CID102445066
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name3-(3-cyclohexylbutanoyl)-1,3-oxazolidin-2-one
SMILESCC(CC(=O)N1CCOC1=O)C1CCCCC1
InChIInChI=1S/C13H21NO3/c1-10(11-5-3-2-4-6-11)9-12(15)14-7-8-17-13(14)16/h10-11H,2-9H2,1H3
InChIKeyBKKIUNNBGVXRQQ-UHFFFAOYSA-N
XLogP2.57
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 52.57
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-[(3R)-3-[(2S)-5-oxo-2H-furan-2-yl]butanoyl]-1,3-oxazolidin-2-one
CID 101146579
3-[(2R)-2-[(1S)-1-cyclohexylethyl]pent-4-enoyl]-1,3-oxazolidin-2-one
CID 101143579
3-(2-methylpropanoyl)-1,3-oxazolidin-2-one
CID 10397067
ethyl (2S,3S)-3-(cyclopentylmethyl)-4-methylsulfanyl-4-oxo-2-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]butanoate
CID 15473939
3-[(3R)-3-sulfanylhexanoyl]-1,3-oxazolidin-2-one
CID 102035689
3-(3-butylsulfanylbutanoyl)-1,3-oxazolidin-2-one
CID 11265081
3-[(3R)-4-methyl-3-phenylpentanoyl]-1,3-oxazolidin-2-one
CID 11139889
3-(4-bromo-3-ethylhexanoyl)-1,3-oxazolidin-2-one
CID 15890022
3-[2-[(3S)-3-hydroxypiperidin-1-yl]acetyl]-1,3-oxazolidin-2-one
CID 107225668
3-cyclohexylbutanoate
CID 3992120
3-[2-[(2-amino-1-cyclopropylethyl)-methylamino]acetyl]-1,3-oxazolidin-2-one
CID 116652991

Frequently Asked Questions

What is the IUPAC name of 3-(3-cyclohexylbutanoyl)-1,3-oxazolidin-2-one?
The IUPAC name of 3-(3-cyclohexylbutanoyl)-1,3-oxazolidin-2-one (CID 102445066) is 3-(3-cyclohexylbutanoyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(3-cyclohexylbutanoyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(3-cyclohexylbutanoyl)-1,3-oxazolidin-2-one is CC(CC(=O)N1CCOC1=O)C1CCCCC1.
What is the InChIKey of 3-(3-cyclohexylbutanoyl)-1,3-oxazolidin-2-one?
The InChIKey is BKKIUNNBGVXRQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c1-10(11-5-3-2-4-6-11)9-12(15)14-7-8-17-13(14)16/h10-11H,2-9H2,1H3.
What are the key properties of 3-(3-cyclohexylbutanoyl)-1,3-oxazolidin-2-one?
3-(3-cyclohexylbutanoyl)-1,3-oxazolidin-2-one has a molecular weight of 239.31 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyclohexylbutanoyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 102445066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).