3-(3-methylbutanoyl)-4-phenyl-1,3-oxazolidin-2-one

C14H17NO3 — CID 67991997

IUPAC3-(3-methylbutanoyl)-4-phenyl-1,3-oxazolidin-2-one
SMILESCC(C)CC(=O)N1C(=O)OCC1c1ccccc1
InChIInChI=1S/C14H17NO3/c1-10(2)8-13(16)15-12(9-18-14(15)17)11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3
InChIKeyBKZIBLNAXIJIKT-UHFFFAOYSA-N
MW247.29 g/mol
LogP2.75
Rot. Bonds3

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

3-(3-methylbutanoyl)-4-phenyl-1,3-oxazolidin-2-one (PubChem CID 67991997) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is 3-(3-methylbutanoyl)-4-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(3-methylbutanoyl)-4-phenyl-1,3-oxazolidin-2-one
PubChem CID67991997
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name3-(3-methylbutanoyl)-4-phenyl-1,3-oxazolidin-2-one
SMILESCC(C)CC(=O)N1C(=O)OCC1c1ccccc1
InChIInChI=1S/C14H17NO3/c1-10(2)8-13(16)15-12(9-18-14(15)17)11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3
InChIKeyBKZIBLNAXIJIKT-UHFFFAOYSA-N
XLogP2.75
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 ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methylbutanoyl)-4-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of 3-(3-methylbutanoyl)-4-phenyl-1,3-oxazolidin-2-one (CID 67991997) is 3-(3-methylbutanoyl)-4-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(3-methylbutanoyl)-4-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(3-methylbutanoyl)-4-phenyl-1,3-oxazolidin-2-one is CC(C)CC(=O)N1C(=O)OCC1c1ccccc1.
What is the InChIKey of 3-(3-methylbutanoyl)-4-phenyl-1,3-oxazolidin-2-one?
The InChIKey is BKZIBLNAXIJIKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-10(2)8-13(16)15-12(9-18-14(15)17)11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3.
What are the key properties of 3-(3-methylbutanoyl)-4-phenyl-1,3-oxazolidin-2-one?
3-(3-methylbutanoyl)-4-phenyl-1,3-oxazolidin-2-one has a molecular weight of 247.29 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylbutanoyl)-4-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 67991997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).