5-methyl-3-[[4-(oxan-4-yloxy)phenyl]methyl]-1,3-oxazolidin-2-one

C16H21NO4 — CID 44591683

IUPAC5-methyl-3-[[4-(oxan-4-yloxy)phenyl]methyl]-1,3-oxazolidin-2-one
SMILESCC1CN(Cc2ccc(OC3CCOCC3)cc2)C(=O)O1
InChIInChI=1S/C16H21NO4/c1-12-10-17(16(18)20-12)11-13-2-4-14(5-3-13)21-15-6-8-19-9-7-15/h2-5,12,15H,6-11H2,1H3
InChIKeyYJAILWGTJCSUIS-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.59
Rot. Bonds4

About 5-methyl-3-[[4-(oxan-4-yloxy)phenyl]methyl]-1,3-oxazolidin-2-one

5-methyl-3-[[4-(oxan-4-yloxy)phenyl]methyl]-1,3-oxazolidin-2-one (PubChem CID 44591683) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is 5-methyl-3-[[4-(oxan-4-yloxy)phenyl]methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-methyl-3-[[4-(oxan-4-yloxy)phenyl]methyl]-1,3-oxazolidin-2-one
PubChem CID44591683
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC Name5-methyl-3-[[4-(oxan-4-yloxy)phenyl]methyl]-1,3-oxazolidin-2-one
SMILESCC1CN(Cc2ccc(OC3CCOCC3)cc2)C(=O)O1
InChIInChI=1S/C16H21NO4/c1-12-10-17(16(18)20-12)11-13-2-4-14(5-3-13)21-15-6-8-19-9-7-15/h2-5,12,15H,6-11H2,1H3
InChIKeyYJAILWGTJCSUIS-UHFFFAOYSA-N
XLogP2.59
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[[4-(oxan-4-yloxy)phenyl]methyl]-1,3-oxazolidin-2-one?
The IUPAC name of 5-methyl-3-[[4-(oxan-4-yloxy)phenyl]methyl]-1,3-oxazolidin-2-one (CID 44591683) is 5-methyl-3-[[4-(oxan-4-yloxy)phenyl]methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-methyl-3-[[4-(oxan-4-yloxy)phenyl]methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 5-methyl-3-[[4-(oxan-4-yloxy)phenyl]methyl]-1,3-oxazolidin-2-one is CC1CN(Cc2ccc(OC3CCOCC3)cc2)C(=O)O1.
What is the InChIKey of 5-methyl-3-[[4-(oxan-4-yloxy)phenyl]methyl]-1,3-oxazolidin-2-one?
The InChIKey is YJAILWGTJCSUIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO4/c1-12-10-17(16(18)20-12)11-13-2-4-14(5-3-13)21-15-6-8-19-9-7-15/h2-5,12,15H,6-11H2,1H3.
What are the key properties of 5-methyl-3-[[4-(oxan-4-yloxy)phenyl]methyl]-1,3-oxazolidin-2-one?
5-methyl-3-[[4-(oxan-4-yloxy)phenyl]methyl]-1,3-oxazolidin-2-one has a molecular weight of 291.35 g/mol, XLogP of 2.59, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[[4-(oxan-4-yloxy)phenyl]methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 44591683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).