3-[3-(oxan-4-yl)propanoyl]-4-phenyl-1,3-oxazolidin-2-one

C17H21NO4 — CID 138546961

IUPAC3-[3-(oxan-4-yl)propanoyl]-4-phenyl-1,3-oxazolidin-2-one
SMILESO=C(CCC1CCOCC1)N1C(=O)OCC1c1ccccc1
InChIInChI=1S/C17H21NO4/c19-16(7-6-13-8-10-21-11-9-13)18-15(12-22-17(18)20)14-4-2-1-3-5-14/h1-5,13,15H,6-12H2
InChIKeyYNLQEXKKAVCUBO-UHFFFAOYSA-N
MW303.36 g/mol
LogP2.91
Rot. Bonds4

About 3-[3-(oxan-4-yl)propanoyl]-4-phenyl-1,3-oxazolidin-2-one

3-[3-(oxan-4-yl)propanoyl]-4-phenyl-1,3-oxazolidin-2-one (PubChem CID 138546961) has the molecular formula C17H21NO4 and a molecular weight of 303.36 g/mol. Its IUPAC name is 3-[3-(oxan-4-yl)propanoyl]-4-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[3-(oxan-4-yl)propanoyl]-4-phenyl-1,3-oxazolidin-2-one
PubChem CID138546961
Molecular FormulaC17H21NO4
Molecular Weight303.36 g/mol
Exact Mass303.15
IUPAC Name3-[3-(oxan-4-yl)propanoyl]-4-phenyl-1,3-oxazolidin-2-one
SMILESO=C(CCC1CCOCC1)N1C(=O)OCC1c1ccccc1
InChIInChI=1S/C17H21NO4/c19-16(7-6-13-8-10-21-11-9-13)18-15(12-22-17(18)20)14-4-2-1-3-5-14/h1-5,13,15H,6-12H2
InChIKeyYNLQEXKKAVCUBO-UHFFFAOYSA-N
XLogP2.91
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(oxan-4-yl)propanoyl]-4-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of 3-[3-(oxan-4-yl)propanoyl]-4-phenyl-1,3-oxazolidin-2-one (CID 138546961) is 3-[3-(oxan-4-yl)propanoyl]-4-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[3-(oxan-4-yl)propanoyl]-4-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[3-(oxan-4-yl)propanoyl]-4-phenyl-1,3-oxazolidin-2-one is O=C(CCC1CCOCC1)N1C(=O)OCC1c1ccccc1.
What is the InChIKey of 3-[3-(oxan-4-yl)propanoyl]-4-phenyl-1,3-oxazolidin-2-one?
The InChIKey is YNLQEXKKAVCUBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO4/c19-16(7-6-13-8-10-21-11-9-13)18-15(12-22-17(18)20)14-4-2-1-3-5-14/h1-5,13,15H,6-12H2.
What are the key properties of 3-[3-(oxan-4-yl)propanoyl]-4-phenyl-1,3-oxazolidin-2-one?
3-[3-(oxan-4-yl)propanoyl]-4-phenyl-1,3-oxazolidin-2-one has a molecular weight of 303.36 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(oxan-4-yl)propanoyl]-4-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 138546961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).