(4R,5S)-3-butyl-4-hydroxy-4,5-dimethyl-1,3-oxazolidin-2-one

C9H17NO3 — CID 56934341

IUPAC(4R,5S)-3-butyl-4-hydroxy-4,5-dimethyl-1,3-oxazolidin-2-one
SMILESCCCCN1C(=O)O[C@@H](C)[C@@]1(C)O
InChIInChI=1S/C9H17NO3/c1-4-5-6-10-8(11)13-7(2)9(10,3)12/h7,12H,4-6H2,1-3H3/t7-,9+/m0/s1
InChIKeyKUTINQMUXCWPJW-IONNQARKSA-N
MW187.24 g/mol
LogP1.34
Rot. Bonds3

About (4R,5S)-3-butyl-4-hydroxy-4,5-dimethyl-1,3-oxazolidin-2-one

(4R,5S)-3-butyl-4-hydroxy-4,5-dimethyl-1,3-oxazolidin-2-one (PubChem CID 56934341) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is (4R,5S)-3-butyl-4-hydroxy-4,5-dimethyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R,5S)-3-butyl-4-hydroxy-4,5-dimethyl-1,3-oxazolidin-2-one
PubChem CID56934341
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name(4R,5S)-3-butyl-4-hydroxy-4,5-dimethyl-1,3-oxazolidin-2-one
SMILESCCCCN1C(=O)O[C@@H](C)[C@@]1(C)O
InChIInChI=1S/C9H17NO3/c1-4-5-6-10-8(11)13-7(2)9(10,3)12/h7,12H,4-6H2,1-3H3/t7-,9+/m0/s1
InChIKeyKUTINQMUXCWPJW-IONNQARKSA-N
XLogP1.34
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-butyl-5,5-dimethylpyrrolidin-2-one
CID 14887124
1-butyl-3-methyl-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64875303
1-butyl-5,5-dimethyl-4-(methylaminomethyl)pyrrolidin-2-one
CID 117023315
4-bromo-5-(bromomethyl)-1-butyl-5-hydroxypyrrol-2-one
CID 102404827
2,2-dimethyl-5-oxo-1-pentylpyrrolidine-3-carboxylic acid
CID 117022864
3-butyl-1,5-bis[(4-hydroxyphenyl)methyl]-2,2-dimethylimidazolidin-4-one
CID 90762009
1-butyl-3-ethyl-5-methyl-5-(sulfanylmethyl)imidazolidine-2,4-dione
CID 87234060
4-butyl-3,3,7,7-tetramethyl-1,4-diazepan-5-one
CID 117023564
4-butyl-6-hydroxy-2-methyl-1,4-benzoxazin-3-one
CID 82063447
methyl 1-butyl-2,2-dimethyl-5-oxopyrrole-3-carboxylate
CID 100961005
1-butyl-6-ethyl-6-methyl-3-propan-2-ylpiperazine-2,5-dione
CID 64874004
1-butyl-3,6-dicyclopropyl-3,6-dimethylpiperazine-2,5-dione
CID 64885387

Frequently Asked Questions

What is the IUPAC name of (4R,5S)-3-butyl-4-hydroxy-4,5-dimethyl-1,3-oxazolidin-2-one?
The IUPAC name of (4R,5S)-3-butyl-4-hydroxy-4,5-dimethyl-1,3-oxazolidin-2-one (CID 56934341) is (4R,5S)-3-butyl-4-hydroxy-4,5-dimethyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R,5S)-3-butyl-4-hydroxy-4,5-dimethyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4R,5S)-3-butyl-4-hydroxy-4,5-dimethyl-1,3-oxazolidin-2-one is CCCCN1C(=O)O[C@@H](C)[C@@]1(C)O.
What is the InChIKey of (4R,5S)-3-butyl-4-hydroxy-4,5-dimethyl-1,3-oxazolidin-2-one?
The InChIKey is KUTINQMUXCWPJW-IONNQARKSA-N. The full InChI is InChI=1S/C9H17NO3/c1-4-5-6-10-8(11)13-7(2)9(10,3)12/h7,12H,4-6H2,1-3H3/t7-,9+/m0/s1.
What are the key properties of (4R,5S)-3-butyl-4-hydroxy-4,5-dimethyl-1,3-oxazolidin-2-one?
(4R,5S)-3-butyl-4-hydroxy-4,5-dimethyl-1,3-oxazolidin-2-one has a molecular weight of 187.24 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-3-butyl-4-hydroxy-4,5-dimethyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 56934341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).