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

C18H23NO5 — CID 22086394

IUPAC(4R)-4-benzyl-3-[4-(2-methyl-1,3-dioxolan-2-yl)butanoyl]-1,3-oxazolidin-2-one
SMILESCC1(CCCC(=O)N2C(=O)OC[C@H]2Cc2ccccc2)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/t15-/m1/s1
InChIKeyQXYJCDFZZWJCAX-OAHLLOKOSA-N
MW333.38 g/mol
LogP2.51
Rot. Bonds6

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

(4R)-4-benzyl-3-[4-(2-methyl-1,3-dioxolan-2-yl)butanoyl]-1,3-oxazolidin-2-one (PubChem CID 22086394) has the molecular formula C18H23NO5 and a molecular weight of 333.38 g/mol. Its IUPAC name is (4R)-4-benzyl-3-[4-(2-methyl-1,3-dioxolan-2-yl)butanoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-4-benzyl-3-[4-(2-methyl-1,3-dioxolan-2-yl)butanoyl]-1,3-oxazolidin-2-one
PubChem CID22086394
Molecular FormulaC18H23NO5
Molecular Weight333.38 g/mol
Exact Mass333.16
IUPAC Name(4R)-4-benzyl-3-[4-(2-methyl-1,3-dioxolan-2-yl)butanoyl]-1,3-oxazolidin-2-one
SMILESCC1(CCCC(=O)N2C(=O)OC[C@H]2Cc2ccccc2)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/t15-/m1/s1
InChIKeyQXYJCDFZZWJCAX-OAHLLOKOSA-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

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

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Related Compounds

2-Oxazolidinone, 3-(1-oxodecyl)-4-(phenylmethyl)-, (4S)-
CID 10496737
[(4R,5S)-4-benzyl-3-butyl-2-oxo-1,3-oxazolidin-5-yl]methyl octanoate
CID 11474746
[(4R,5S)-3-butyl-2-oxo-4-(3-phenylpropyl)-1,3-oxazolidin-5-yl]methyl octanoate
CID 44413324
(2S)a1a[(4S)a4aBenzyla2aoxoa1,3aoxazolidina3ayl]a2a methylpentanea1,3adione
CID 11822363
(R)-4-benzyl-3-((S)-2-methylpent-4-enoyl)oxazolidin-2-one
CID 9970521
(S)-4-Benzyl-3-hexanoyl-2-oxazolidinone
CID 10612452
(4S)-4-benzyl-3-[(2S)-2-methylpent-4-enoyl]-1,3-oxazolidin-2-one
CID 11033035
(r)-4-Benzyl-3-butyryloxazolidin-2-one
CID 13949735
2-Oxazolidinone, 3-(5,5-difluoro-1-oxohexyl)-4-(phenylmethyl)-, (R)-
CID 165345301
4-Benzyl-3-((1-methoxy-5-methylcyclohexen-4-yl)carbonyl)-2-oxazolidinone
CID 126832
(4S)-4-benzyl-3-[(3S)-3-methylnonanoyl]-1,3-oxazolidin-2-one
CID 14935662
methyl (3S,4R)-5-[(4S)-4-benzyl-2,2-dimethyl-1,3-oxazolidin-3-yl]-4-methyl-5-oxo-3-propan-2-ylpentanoate
CID 134905072

Frequently Asked Questions

What is the IUPAC name of (4R)-4-benzyl-3-[4-(2-methyl-1,3-dioxolan-2-yl)butanoyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-4-benzyl-3-[4-(2-methyl-1,3-dioxolan-2-yl)butanoyl]-1,3-oxazolidin-2-one (CID 22086394) is (4R)-4-benzyl-3-[4-(2-methyl-1,3-dioxolan-2-yl)butanoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-4-benzyl-3-[4-(2-methyl-1,3-dioxolan-2-yl)butanoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-4-benzyl-3-[4-(2-methyl-1,3-dioxolan-2-yl)butanoyl]-1,3-oxazolidin-2-one is CC1(CCCC(=O)N2C(=O)OC[C@H]2Cc2ccccc2)OCCO1.
What is the InChIKey of (4R)-4-benzyl-3-[4-(2-methyl-1,3-dioxolan-2-yl)butanoyl]-1,3-oxazolidin-2-one?
The InChIKey is QXYJCDFZZWJCAX-OAHLLOKOSA-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/t15-/m1/s1.
What are the key properties of (4R)-4-benzyl-3-[4-(2-methyl-1,3-dioxolan-2-yl)butanoyl]-1,3-oxazolidin-2-one?
(4R)-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 (4R)-4-benzyl-3-[4-(2-methyl-1,3-dioxolan-2-yl)butanoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 22086394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).