3-[3-(6-methoxy-3-pyridinyl)propanoyl]-4-phenyl-1,3-oxazolidin-2-one

C18H18N2O4 — CID 138546991

IUPAC3-[3-(6-methoxy-3-pyridinyl)propanoyl]-4-phenyl-1,3-oxazolidin-2-one
SMILESCOc1ccc(CCC(=O)N2C(=O)OCC2c2ccccc2)cn1
InChIInChI=1S/C18H18N2O4/c1-23-16-9-7-13(11-19-16)8-10-17(21)20-15(12-24-18(20)22)14-5-3-2-4-6-14/h2-7,9,11,15H,8,10,12H2,1H3
InChIKeyDSNZBSRTMXBJKQ-UHFFFAOYSA-N
MW326.35 g/mol
LogP2.74
Rot. Bonds5

About 3-[3-(6-methoxy-3-pyridinyl)propanoyl]-4-phenyl-1,3-oxazolidin-2-one

3-[3-(6-methoxy-3-pyridinyl)propanoyl]-4-phenyl-1,3-oxazolidin-2-one (PubChem CID 138546991) has the molecular formula C18H18N2O4 and a molecular weight of 326.35 g/mol. Its IUPAC name is 3-[3-(6-methoxy-3-pyridinyl)propanoyl]-4-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[3-(6-methoxy-3-pyridinyl)propanoyl]-4-phenyl-1,3-oxazolidin-2-one
PubChem CID138546991
Molecular FormulaC18H18N2O4
Molecular Weight326.35 g/mol
Exact Mass326.13
IUPAC Name3-[3-(6-methoxy-3-pyridinyl)propanoyl]-4-phenyl-1,3-oxazolidin-2-one
SMILESCOc1ccc(CCC(=O)N2C(=O)OCC2c2ccccc2)cn1
InChIInChI=1S/C18H18N2O4/c1-23-16-9-7-13(11-19-16)8-10-17(21)20-15(12-24-18(20)22)14-5-3-2-4-6-14/h2-7,9,11,15H,8,10,12H2,1H3
InChIKeyDSNZBSRTMXBJKQ-UHFFFAOYSA-N
XLogP2.74
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(6-methoxy-3-pyridinyl)propanoyl]-4-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of 3-[3-(6-methoxy-3-pyridinyl)propanoyl]-4-phenyl-1,3-oxazolidin-2-one (CID 138546991) is 3-[3-(6-methoxy-3-pyridinyl)propanoyl]-4-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[3-(6-methoxy-3-pyridinyl)propanoyl]-4-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[3-(6-methoxy-3-pyridinyl)propanoyl]-4-phenyl-1,3-oxazolidin-2-one is COc1ccc(CCC(=O)N2C(=O)OCC2c2ccccc2)cn1.
What is the InChIKey of 3-[3-(6-methoxy-3-pyridinyl)propanoyl]-4-phenyl-1,3-oxazolidin-2-one?
The InChIKey is DSNZBSRTMXBJKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4/c1-23-16-9-7-13(11-19-16)8-10-17(21)20-15(12-24-18(20)22)14-5-3-2-4-6-14/h2-7,9,11,15H,8,10,12H2,1H3.
What are the key properties of 3-[3-(6-methoxy-3-pyridinyl)propanoyl]-4-phenyl-1,3-oxazolidin-2-one?
3-[3-(6-methoxy-3-pyridinyl)propanoyl]-4-phenyl-1,3-oxazolidin-2-one has a molecular weight of 326.35 g/mol, XLogP of 2.74, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(6-methoxy-3-pyridinyl)propanoyl]-4-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 138546991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).