(4R,5S)-3-butanoyl-4-methyl-5-phenyl-1,3-oxazolidin-2-one

C14H17NO3 — CID 11118383

IUPAC(4R,5S)-3-butanoyl-4-methyl-5-phenyl-1,3-oxazolidin-2-one
SMILESCCCC(=O)N1C(=O)O[C@@H](c2ccccc2)[C@H]1C
InChIInChI=1S/C14H17NO3/c1-3-7-12(16)15-10(2)13(18-14(15)17)11-8-5-4-6-9-11/h4-6,8-10,13H,3,7H2,1-2H3/t10-,13-/m1/s1
InChIKeyYPVRKCYWPYFWQB-ZWNOBZJWSA-N
MW247.29 g/mol
LogP2.90
Rot. Bonds3

About (4R,5S)-3-butanoyl-4-methyl-5-phenyl-1,3-oxazolidin-2-one

(4R,5S)-3-butanoyl-4-methyl-5-phenyl-1,3-oxazolidin-2-one (PubChem CID 11118383) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is (4R,5S)-3-butanoyl-4-methyl-5-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R,5S)-3-butanoyl-4-methyl-5-phenyl-1,3-oxazolidin-2-one
PubChem CID11118383
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name(4R,5S)-3-butanoyl-4-methyl-5-phenyl-1,3-oxazolidin-2-one
SMILESCCCC(=O)N1C(=O)O[C@@H](c2ccccc2)[C@H]1C
InChIInChI=1S/C14H17NO3/c1-3-7-12(16)15-10(2)13(18-14(15)17)11-8-5-4-6-9-11/h4-6,8-10,13H,3,7H2,1-2H3/t10-,13-/m1/s1
InChIKeyYPVRKCYWPYFWQB-ZWNOBZJWSA-N
XLogP2.90
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R,5S)-3-butanoyl-4-methyl-5-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of (4R,5S)-3-butanoyl-4-methyl-5-phenyl-1,3-oxazolidin-2-one (CID 11118383) is (4R,5S)-3-butanoyl-4-methyl-5-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R,5S)-3-butanoyl-4-methyl-5-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4R,5S)-3-butanoyl-4-methyl-5-phenyl-1,3-oxazolidin-2-one is CCCC(=O)N1C(=O)O[C@@H](c2ccccc2)[C@H]1C.
What is the InChIKey of (4R,5S)-3-butanoyl-4-methyl-5-phenyl-1,3-oxazolidin-2-one?
The InChIKey is YPVRKCYWPYFWQB-ZWNOBZJWSA-N. The full InChI is InChI=1S/C14H17NO3/c1-3-7-12(16)15-10(2)13(18-14(15)17)11-8-5-4-6-9-11/h4-6,8-10,13H,3,7H2,1-2H3/t10-,13-/m1/s1.
What are the key properties of (4R,5S)-3-butanoyl-4-methyl-5-phenyl-1,3-oxazolidin-2-one?
(4R,5S)-3-butanoyl-4-methyl-5-phenyl-1,3-oxazolidin-2-one has a molecular weight of 247.29 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-3-butanoyl-4-methyl-5-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 11118383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).