3-pentanoyl-5-phenyl-1,3-oxazolidin-2-one

C14H17NO3 — CID 150213764

IUPAC3-pentanoyl-5-phenyl-1,3-oxazolidin-2-one
SMILESCCCCC(=O)N1CC(c2ccccc2)OC1=O
InChIInChI=1S/C14H17NO3/c1-2-3-9-13(16)15-10-12(18-14(15)17)11-7-5-4-6-8-11/h4-8,12H,2-3,9-10H2,1H3
InChIKeyFSAOVDWNIBXXMU-UHFFFAOYSA-N
MW247.29 g/mol
LogP2.90
Rot. Bonds4

About 3-pentanoyl-5-phenyl-1,3-oxazolidin-2-one

3-pentanoyl-5-phenyl-1,3-oxazolidin-2-one (PubChem CID 150213764) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is 3-pentanoyl-5-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-pentanoyl-5-phenyl-1,3-oxazolidin-2-one
PubChem CID150213764
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name3-pentanoyl-5-phenyl-1,3-oxazolidin-2-one
SMILESCCCCC(=O)N1CC(c2ccccc2)OC1=O
InChIInChI=1S/C14H17NO3/c1-2-3-9-13(16)15-10-12(18-14(15)17)11-7-5-4-6-8-11/h4-8,12H,2-3,9-10H2,1H3
InChIKeyFSAOVDWNIBXXMU-UHFFFAOYSA-N
XLogP2.90
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
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 3-pentanoyl-5-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of 3-pentanoyl-5-phenyl-1,3-oxazolidin-2-one (CID 150213764) is 3-pentanoyl-5-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-pentanoyl-5-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-pentanoyl-5-phenyl-1,3-oxazolidin-2-one is CCCCC(=O)N1CC(c2ccccc2)OC1=O.
What is the InChIKey of 3-pentanoyl-5-phenyl-1,3-oxazolidin-2-one?
The InChIKey is FSAOVDWNIBXXMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-2-3-9-13(16)15-10-12(18-14(15)17)11-7-5-4-6-8-11/h4-8,12H,2-3,9-10H2,1H3.
What are the key properties of 3-pentanoyl-5-phenyl-1,3-oxazolidin-2-one?
3-pentanoyl-5-phenyl-1,3-oxazolidin-2-one has a molecular weight of 247.29 g/mol, XLogP of 2.90, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pentanoyl-5-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 150213764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).