(4R,5R)-4-[(2R)-butan-2-yl]-4-methyl-5-prop-1-en-2-yl-1,3-oxazolidin-2-one

C11H19NO2 — CID 167557027

IUPAC(4R,5R)-4-[(2R)-butan-2-yl]-4-methyl-5-prop-1-en-2-yl-1,3-oxazolidin-2-one
SMILESC=C(C)[C@H]1OC(=O)N[C@]1(C)[C@H](C)CC
InChIInChI=1S/C11H19NO2/c1-6-8(4)11(5)9(7(2)3)14-10(13)12-11/h8-9H,2,6H2,1,3-5H3,(H,12,13)/t8-,9-,11-/m1/s1
InChIKeyVPCZIBMTVSAJNI-FXPVBKGRSA-N
MW197.28 g/mol
LogP2.48
Rot. Bonds3

About (4R,5R)-4-[(2R)-butan-2-yl]-4-methyl-5-prop-1-en-2-yl-1,3-oxazolidin-2-one

(4R,5R)-4-[(2R)-butan-2-yl]-4-methyl-5-prop-1-en-2-yl-1,3-oxazolidin-2-one (PubChem CID 167557027) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is (4R,5R)-4-[(2R)-butan-2-yl]-4-methyl-5-prop-1-en-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R,5R)-4-[(2R)-butan-2-yl]-4-methyl-5-prop-1-en-2-yl-1,3-oxazolidin-2-one
PubChem CID167557027
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name(4R,5R)-4-[(2R)-butan-2-yl]-4-methyl-5-prop-1-en-2-yl-1,3-oxazolidin-2-one
SMILESC=C(C)[C@H]1OC(=O)N[C@]1(C)[C@H](C)CC
InChIInChI=1S/C11H19NO2/c1-6-8(4)11(5)9(7(2)3)14-10(13)12-11/h8-9H,2,6H2,1,3-5H3,(H,12,13)/t8-,9-,11-/m1/s1
InChIKeyVPCZIBMTVSAJNI-FXPVBKGRSA-N
XLogP2.48
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (4R,5R)-4-[(2R)-butan-2-yl]-4-methyl-5-prop-1-en-2-yl-1,3-oxazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-4-[(2R)-butan-2-yl]-4-methyl-5-prop-1-en-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of (4R,5R)-4-[(2R)-butan-2-yl]-4-methyl-5-prop-1-en-2-yl-1,3-oxazolidin-2-one (CID 167557027) is (4R,5R)-4-[(2R)-butan-2-yl]-4-methyl-5-prop-1-en-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R,5R)-4-[(2R)-butan-2-yl]-4-methyl-5-prop-1-en-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (4R,5R)-4-[(2R)-butan-2-yl]-4-methyl-5-prop-1-en-2-yl-1,3-oxazolidin-2-one is C=C(C)[C@H]1OC(=O)N[C@]1(C)[C@H](C)CC.
What is the InChIKey of (4R,5R)-4-[(2R)-butan-2-yl]-4-methyl-5-prop-1-en-2-yl-1,3-oxazolidin-2-one?
The InChIKey is VPCZIBMTVSAJNI-FXPVBKGRSA-N. The full InChI is InChI=1S/C11H19NO2/c1-6-8(4)11(5)9(7(2)3)14-10(13)12-11/h8-9H,2,6H2,1,3-5H3,(H,12,13)/t8-,9-,11-/m1/s1.
What are the key properties of (4R,5R)-4-[(2R)-butan-2-yl]-4-methyl-5-prop-1-en-2-yl-1,3-oxazolidin-2-one?
(4R,5R)-4-[(2R)-butan-2-yl]-4-methyl-5-prop-1-en-2-yl-1,3-oxazolidin-2-one has a molecular weight of 197.28 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-4-[(2R)-butan-2-yl]-4-methyl-5-prop-1-en-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 167557027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).