3-[5-(furan-3-yl)pentanoyl]-1,3-oxazolidin-2-one

C12H15NO4 — CID 141382545

IUPAC3-[5-(furan-3-yl)pentanoyl]-1,3-oxazolidin-2-one
SMILESO=C(CCCCc1ccoc1)N1CCOC1=O
InChIInChI=1S/C12H15NO4/c14-11(13-6-8-17-12(13)15)4-2-1-3-10-5-7-16-9-10/h5,7,9H,1-4,6,8H2
InChIKeyIUZSZDQKRFULHS-UHFFFAOYSA-N
MW237.25 g/mol
LogP1.97
Rot. Bonds5

About 3-[5-(furan-3-yl)pentanoyl]-1,3-oxazolidin-2-one

3-[5-(furan-3-yl)pentanoyl]-1,3-oxazolidin-2-one (PubChem CID 141382545) has the molecular formula C12H15NO4 and a molecular weight of 237.25 g/mol. Its IUPAC name is 3-[5-(furan-3-yl)pentanoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[5-(furan-3-yl)pentanoyl]-1,3-oxazolidin-2-one
PubChem CID141382545
Molecular FormulaC12H15NO4
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC Name3-[5-(furan-3-yl)pentanoyl]-1,3-oxazolidin-2-one
SMILESO=C(CCCCc1ccoc1)N1CCOC1=O
InChIInChI=1S/C12H15NO4/c14-11(13-6-8-17-12(13)15)4-2-1-3-10-5-7-16-9-10/h5,7,9H,1-4,6,8H2
InChIKeyIUZSZDQKRFULHS-UHFFFAOYSA-N
XLogP1.97
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(furan-3-yl)pentanoyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[5-(furan-3-yl)pentanoyl]-1,3-oxazolidin-2-one (CID 141382545) is 3-[5-(furan-3-yl)pentanoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[5-(furan-3-yl)pentanoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[5-(furan-3-yl)pentanoyl]-1,3-oxazolidin-2-one is O=C(CCCCc1ccoc1)N1CCOC1=O.
What is the InChIKey of 3-[5-(furan-3-yl)pentanoyl]-1,3-oxazolidin-2-one?
The InChIKey is IUZSZDQKRFULHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4/c14-11(13-6-8-17-12(13)15)4-2-1-3-10-5-7-16-9-10/h5,7,9H,1-4,6,8H2.
What are the key properties of 3-[5-(furan-3-yl)pentanoyl]-1,3-oxazolidin-2-one?
3-[5-(furan-3-yl)pentanoyl]-1,3-oxazolidin-2-one has a molecular weight of 237.25 g/mol, XLogP of 1.97, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(furan-3-yl)pentanoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 141382545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).