(4R,5S)-4,5-dimethyl-3-[(4R)-4-methylheptanoyl]-1,3-oxazolidin-2-one

C13H23NO3 — CID 59099744

IUPAC(4R,5S)-4,5-dimethyl-3-[(4R)-4-methylheptanoyl]-1,3-oxazolidin-2-one
SMILESCCC[C@@H](C)CCC(=O)N1C(=O)O[C@@H](C)[C@H]1C
InChIInChI=1S/C13H23NO3/c1-5-6-9(2)7-8-12(15)14-10(3)11(4)17-13(14)16/h9-11H,5-8H2,1-4H3/t9-,10-,11+/m1/s1
InChIKeyDQGFFJYKASBNKV-MXWKQRLJSA-N
MW241.33 g/mol
LogP2.96
Rot. Bonds5

About (4R,5S)-4,5-dimethyl-3-[(4R)-4-methylheptanoyl]-1,3-oxazolidin-2-one

(4R,5S)-4,5-dimethyl-3-[(4R)-4-methylheptanoyl]-1,3-oxazolidin-2-one (PubChem CID 59099744) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is (4R,5S)-4,5-dimethyl-3-[(4R)-4-methylheptanoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R,5S)-4,5-dimethyl-3-[(4R)-4-methylheptanoyl]-1,3-oxazolidin-2-one
PubChem CID59099744
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Name(4R,5S)-4,5-dimethyl-3-[(4R)-4-methylheptanoyl]-1,3-oxazolidin-2-one
SMILESCCC[C@@H](C)CCC(=O)N1C(=O)O[C@@H](C)[C@H]1C
InChIInChI=1S/C13H23NO3/c1-5-6-9(2)7-8-12(15)14-10(3)11(4)17-13(14)16/h9-11H,5-8H2,1-4H3/t9-,10-,11+/m1/s1
InChIKeyDQGFFJYKASBNKV-MXWKQRLJSA-N
XLogP2.96
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4R,5S)-4,5-dimethyl-3-[(4R)-4-methylheptanoyl]-1,3-oxazolidin-2-one with MolForge

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Related Compounds

3-(6-Cyclohexylhexanoyl)-1,3-oxazolidin-2-one
CID 132141167
(4S)-3-[(2S)-2-fluorohexanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 135055249
(4S)-3-[(2S)-2-(difluoromethyl)hexanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 135070675
4-(S)-Isopropyl-3-(1-oxododecyl)-2-oxazolidinone
CID 10686504
4-(S)-Isopropyl-3-(1-oxodecyl)-2-oxazolidinone
CID 10755432
3-(3,4-Dimethylpentanoyl)-1,3-oxazolidin-2-one
CID 11412972
(2R)-4-methyl-2-[2-oxo-2-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]ethyl]pentanenitrile
CID 11558038
(4S)-3-[(2S)-2-methylhexanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 11615658
3-Heptanoyl-1,3-oxazolidin-2-one
CID 12292570
(4S)-3-hexanoyl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 14939235
(4R)-3-[3-(1-fluorocyclobutyl)propanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 90087814
3-[3-(Fluoromethyl)hexanoyl]-1,3-oxazolidin-2-one
CID 140119071

Frequently Asked Questions

What is the IUPAC name of (4R,5S)-4,5-dimethyl-3-[(4R)-4-methylheptanoyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4R,5S)-4,5-dimethyl-3-[(4R)-4-methylheptanoyl]-1,3-oxazolidin-2-one (CID 59099744) is (4R,5S)-4,5-dimethyl-3-[(4R)-4-methylheptanoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R,5S)-4,5-dimethyl-3-[(4R)-4-methylheptanoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4R,5S)-4,5-dimethyl-3-[(4R)-4-methylheptanoyl]-1,3-oxazolidin-2-one is CCC[C@@H](C)CCC(=O)N1C(=O)O[C@@H](C)[C@H]1C.
What is the InChIKey of (4R,5S)-4,5-dimethyl-3-[(4R)-4-methylheptanoyl]-1,3-oxazolidin-2-one?
The InChIKey is DQGFFJYKASBNKV-MXWKQRLJSA-N. The full InChI is InChI=1S/C13H23NO3/c1-5-6-9(2)7-8-12(15)14-10(3)11(4)17-13(14)16/h9-11H,5-8H2,1-4H3/t9-,10-,11+/m1/s1.
What are the key properties of (4R,5S)-4,5-dimethyl-3-[(4R)-4-methylheptanoyl]-1,3-oxazolidin-2-one?
(4R,5S)-4,5-dimethyl-3-[(4R)-4-methylheptanoyl]-1,3-oxazolidin-2-one has a molecular weight of 241.33 g/mol, XLogP of 2.96, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-4,5-dimethyl-3-[(4R)-4-methylheptanoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 59099744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).