(4R)-3-propanoyl-4-propan-2-yl-1,3-oxazolidin-2-one

C9H15NO3 — CID 643512

IUPAC(4R)-3-propanoyl-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCCC(=O)N1C(=O)OC[C@H]1C(C)C
InChIInChI=1S/C9H15NO3/c1-4-8(11)10-7(6(2)3)5-13-9(10)12/h6-7H,4-5H2,1-3H3/t7-/m0/s1
InChIKeyHOWPHXVPNNPSAZ-ZETCQYMHSA-N
MW185.22 g/mol
LogP1.40
Rot. Bonds2

About (4R)-3-propanoyl-4-propan-2-yl-1,3-oxazolidin-2-one

(4R)-3-propanoyl-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 643512) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is (4R)-3-propanoyl-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-3-propanoyl-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID643512
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name(4R)-3-propanoyl-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCCC(=O)N1C(=O)OC[C@H]1C(C)C
InChIInChI=1S/C9H15NO3/c1-4-8(11)10-7(6(2)3)5-13-9(10)12/h6-7H,4-5H2,1-3H3/t7-/m0/s1
InChIKeyHOWPHXVPNNPSAZ-ZETCQYMHSA-N
XLogP1.40
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
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

Analyze (4R)-3-propanoyl-4-propan-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)-3-propanoyl-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-3-propanoyl-4-propan-2-yl-1,3-oxazolidin-2-one (CID 643512) is (4R)-3-propanoyl-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-3-propanoyl-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-3-propanoyl-4-propan-2-yl-1,3-oxazolidin-2-one is CCC(=O)N1C(=O)OC[C@H]1C(C)C.
What is the InChIKey of (4R)-3-propanoyl-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is HOWPHXVPNNPSAZ-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H15NO3/c1-4-8(11)10-7(6(2)3)5-13-9(10)12/h6-7H,4-5H2,1-3H3/t7-/m0/s1.
What are the key properties of (4R)-3-propanoyl-4-propan-2-yl-1,3-oxazolidin-2-one?
(4R)-3-propanoyl-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 185.22 g/mol, XLogP of 1.40, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-propanoyl-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 643512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).