3-[4-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]butanoyl]-1,3-oxazolidin-2-one

C16H18FNO5 — CID 143492261

IUPAC3-[4-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]butanoyl]-1,3-oxazolidin-2-one
SMILESO=C(CCCC1(c2ccc(F)cc2)OCCO1)N1CCOC1=O
InChIInChI=1S/C16H18FNO5/c17-13-5-3-12(4-6-13)16(22-10-11-23-16)7-1-2-14(19)18-8-9-21-15(18)20/h3-6H,1-2,7-11H2
InChIKeyVSKGFLHXNUPHER-UHFFFAOYSA-N
MW323.32 g/mol
LogP2.17
Rot. Bonds5

About 3-[4-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]butanoyl]-1,3-oxazolidin-2-one

3-[4-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]butanoyl]-1,3-oxazolidin-2-one (PubChem CID 143492261) has the molecular formula C16H18FNO5 and a molecular weight of 323.32 g/mol. Its IUPAC name is 3-[4-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]butanoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[4-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]butanoyl]-1,3-oxazolidin-2-one
PubChem CID143492261
Molecular FormulaC16H18FNO5
Molecular Weight323.32 g/mol
Exact Mass323.12
IUPAC Name3-[4-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]butanoyl]-1,3-oxazolidin-2-one
SMILESO=C(CCCC1(c2ccc(F)cc2)OCCO1)N1CCOC1=O
InChIInChI=1S/C16H18FNO5/c17-13-5-3-12(4-6-13)16(22-10-11-23-16)7-1-2-14(19)18-8-9-21-15(18)20/h3-6H,1-2,7-11H2
InChIKeyVSKGFLHXNUPHER-UHFFFAOYSA-N
XLogP2.17
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.32
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]butanoyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[4-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]butanoyl]-1,3-oxazolidin-2-one (CID 143492261) is 3-[4-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]butanoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[4-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]butanoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[4-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]butanoyl]-1,3-oxazolidin-2-one is O=C(CCCC1(c2ccc(F)cc2)OCCO1)N1CCOC1=O.
What is the InChIKey of 3-[4-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]butanoyl]-1,3-oxazolidin-2-one?
The InChIKey is VSKGFLHXNUPHER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO5/c17-13-5-3-12(4-6-13)16(22-10-11-23-16)7-1-2-14(19)18-8-9-21-15(18)20/h3-6H,1-2,7-11H2.
What are the key properties of 3-[4-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]butanoyl]-1,3-oxazolidin-2-one?
3-[4-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]butanoyl]-1,3-oxazolidin-2-one has a molecular weight of 323.32 g/mol, XLogP of 2.17, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]butanoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 143492261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).