(4S)-4-phenyl-3-propanoyl-1,3-oxazolidin-2-one

C12H13NO3 — CID 2755242

IUPAC(4S)-4-phenyl-3-propanoyl-1,3-oxazolidin-2-one
SMILESCCC(=O)N1C(=O)OC[C@@H]1c1ccccc1
InChIInChI=1S/C12H13NO3/c1-2-11(14)13-10(8-16-12(13)15)9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3/t10-/m1/s1
InChIKeyTYZVFKRBBHHHSX-SNVBAGLBSA-N
MW219.24 g/mol
LogP2.12
Rot. Bonds2

About (4S)-4-phenyl-3-propanoyl-1,3-oxazolidin-2-one

(4S)-4-phenyl-3-propanoyl-1,3-oxazolidin-2-one (PubChem CID 2755242) has the molecular formula C12H13NO3 and a molecular weight of 219.24 g/mol. Its IUPAC name is (4S)-4-phenyl-3-propanoyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-phenyl-3-propanoyl-1,3-oxazolidin-2-one
PubChem CID2755242
Molecular FormulaC12H13NO3
Molecular Weight219.24 g/mol
Exact Mass219.09
IUPAC Name(4S)-4-phenyl-3-propanoyl-1,3-oxazolidin-2-one
SMILESCCC(=O)N1C(=O)OC[C@@H]1c1ccccc1
InChIInChI=1S/C12H13NO3/c1-2-11(14)13-10(8-16-12(13)15)9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3/t10-/m1/s1
InChIKeyTYZVFKRBBHHHSX-SNVBAGLBSA-N
XLogP2.12
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-phenyl-3-propanoyl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-phenyl-3-propanoyl-1,3-oxazolidin-2-one (CID 2755242) is (4S)-4-phenyl-3-propanoyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-phenyl-3-propanoyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-phenyl-3-propanoyl-1,3-oxazolidin-2-one is CCC(=O)N1C(=O)OC[C@@H]1c1ccccc1.
What is the InChIKey of (4S)-4-phenyl-3-propanoyl-1,3-oxazolidin-2-one?
The InChIKey is TYZVFKRBBHHHSX-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H13NO3/c1-2-11(14)13-10(8-16-12(13)15)9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3/t10-/m1/s1.
What are the key properties of (4S)-4-phenyl-3-propanoyl-1,3-oxazolidin-2-one?
(4S)-4-phenyl-3-propanoyl-1,3-oxazolidin-2-one has a molecular weight of 219.24 g/mol, XLogP of 2.12, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-phenyl-3-propanoyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 2755242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).