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

C18H23NO5 — CID 18473012

IUPAC4-benzyl-3-[4-(2-methyl-1,3-dioxolan-2-yl)butanoyl]-1,3-oxazolidin-2-one
SMILESCC1(CCCC(=O)N2C(=O)OCC2Cc2ccccc2)OCCO1
InChIInChI=1S/C18H23NO5/c1-18(23-10-11-24-18)9-5-8-16(20)19-15(13-22-17(19)21)12-14-6-3-2-4-7-14/h2-4,6-7,15H,5,8-13H2,1H3
InChIKeyQXYJCDFZZWJCAX-UHFFFAOYSA-N
MW333.38 g/mol
LogP2.51
Rot. Bonds6

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

4-benzyl-3-[4-(2-methyl-1,3-dioxolan-2-yl)butanoyl]-1,3-oxazolidin-2-one (PubChem CID 18473012) has the molecular formula C18H23NO5 and a molecular weight of 333.38 g/mol. Its IUPAC name is 4-benzyl-3-[4-(2-methyl-1,3-dioxolan-2-yl)butanoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-benzyl-3-[4-(2-methyl-1,3-dioxolan-2-yl)butanoyl]-1,3-oxazolidin-2-one
PubChem CID18473012
Molecular FormulaC18H23NO5
Molecular Weight333.38 g/mol
Exact Mass333.16
IUPAC Name4-benzyl-3-[4-(2-methyl-1,3-dioxolan-2-yl)butanoyl]-1,3-oxazolidin-2-one
SMILESCC1(CCCC(=O)N2C(=O)OCC2Cc2ccccc2)OCCO1
InChIInChI=1S/C18H23NO5/c1-18(23-10-11-24-18)9-5-8-16(20)19-15(13-22-17(19)21)12-14-6-3-2-4-7-14/h2-4,6-7,15H,5,8-13H2,1H3
InChIKeyQXYJCDFZZWJCAX-UHFFFAOYSA-N
XLogP2.51
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.38
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-3-[4-(2-methyl-1,3-dioxolan-2-yl)butanoyl]-1,3-oxazolidin-2-one?
The IUPAC name of 4-benzyl-3-[4-(2-methyl-1,3-dioxolan-2-yl)butanoyl]-1,3-oxazolidin-2-one (CID 18473012) is 4-benzyl-3-[4-(2-methyl-1,3-dioxolan-2-yl)butanoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-benzyl-3-[4-(2-methyl-1,3-dioxolan-2-yl)butanoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 4-benzyl-3-[4-(2-methyl-1,3-dioxolan-2-yl)butanoyl]-1,3-oxazolidin-2-one is CC1(CCCC(=O)N2C(=O)OCC2Cc2ccccc2)OCCO1.
What is the InChIKey of 4-benzyl-3-[4-(2-methyl-1,3-dioxolan-2-yl)butanoyl]-1,3-oxazolidin-2-one?
The InChIKey is QXYJCDFZZWJCAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO5/c1-18(23-10-11-24-18)9-5-8-16(20)19-15(13-22-17(19)21)12-14-6-3-2-4-7-14/h2-4,6-7,15H,5,8-13H2,1H3.
What are the key properties of 4-benzyl-3-[4-(2-methyl-1,3-dioxolan-2-yl)butanoyl]-1,3-oxazolidin-2-one?
4-benzyl-3-[4-(2-methyl-1,3-dioxolan-2-yl)butanoyl]-1,3-oxazolidin-2-one has a molecular weight of 333.38 g/mol, XLogP of 2.51, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-3-[4-(2-methyl-1,3-dioxolan-2-yl)butanoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 18473012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).