[(5R)-3-[4-[1-[(4S)-2,2-dimethyl-1,3-dioxolane-4-carbonyl]-3,6-dihydro-2H-pyridin-4-yl]-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl acetate

C23H26F2N2O7 — CID 20725642

IUPAC[(5R)-3-[4-[1-[(4S)-2,2-dimethyl-1,3-dioxolane-4-carbonyl]-3,6-dihydro-2H-pyridin-4-yl]-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl acetate
SMILESCC(=O)OC[C@H]1CN(c2cc(F)c(C3=CCN(C(=O)[C@@H]4COC(C)(C)O4)CC3)c(F)c2)C(=O)O1
InChIInChI=1S/C23H26F2N2O7/c1-13(28)31-11-16-10-27(22(30)33-16)15-8-17(24)20(18(25)9-15)14-4-6-26(7-5-14)21(29)19-12-32-23(2,3)34-19/h4,8-9,16,19H,5-7,10-12H2,1-3H3/t16-,19+/m1/s1
InChIKeyJWSAEMGHPJUICZ-APWZRJJASA-N
MW480.46 g/mol
LogP2.62
Rot. Bonds5

About [(5R)-3-[4-[1-[(4S)-2,2-dimethyl-1,3-dioxolane-4-carbonyl]-3,6-dihydro-2H-pyridin-4-yl]-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl acetate

[(5R)-3-[4-[1-[(4S)-2,2-dimethyl-1,3-dioxolane-4-carbonyl]-3,6-dihydro-2H-pyridin-4-yl]-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl acetate (PubChem CID 20725642) has the molecular formula C23H26F2N2O7 and a molecular weight of 480.46 g/mol. Its IUPAC name is [(5R)-3-[4-[1-[(4S)-2,2-dimethyl-1,3-dioxolane-4-carbonyl]-3,6-dihydro-2H-pyridin-4-yl]-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl acetate.

Molecular Properties

Compound Name[(5R)-3-[4-[1-[(4S)-2,2-dimethyl-1,3-dioxolane-4-carbonyl]-3,6-dihydro-2H-pyridin-4-yl]-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl acetate
PubChem CID20725642
Molecular FormulaC23H26F2N2O7
Molecular Weight480.46 g/mol
Exact Mass480.17
IUPAC Name[(5R)-3-[4-[1-[(4S)-2,2-dimethyl-1,3-dioxolane-4-carbonyl]-3,6-dihydro-2H-pyridin-4-yl]-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl acetate
SMILESCC(=O)OC[C@H]1CN(c2cc(F)c(C3=CCN(C(=O)[C@@H]4COC(C)(C)O4)CC3)c(F)c2)C(=O)O1
InChIInChI=1S/C23H26F2N2O7/c1-13(28)31-11-16-10-27(22(30)33-16)15-8-17(24)20(18(25)9-15)14-4-6-26(7-5-14)21(29)19-12-32-23(2,3)34-19/h4,8-9,16,19H,5-7,10-12H2,1-3H3/t16-,19+/m1/s1
InChIKeyJWSAEMGHPJUICZ-APWZRJJASA-N
XLogP2.62
TPSA94.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.46
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [(5R)-3-[4-[1-[(4S)-2,2-dimethyl-1,3-dioxolane-4-carbonyl]-3,6-dihydro-2H-pyridin-4-yl]-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl acetate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(5R)-3-[4-[1-[(4S)-2,2-dimethyl-1,3-dioxolane-4-carbonyl]-3,6-dihydro-2H-pyridin-4-yl]-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl acetate?
The IUPAC name of [(5R)-3-[4-[1-[(4S)-2,2-dimethyl-1,3-dioxolane-4-carbonyl]-3,6-dihydro-2H-pyridin-4-yl]-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl acetate (CID 20725642) is [(5R)-3-[4-[1-[(4S)-2,2-dimethyl-1,3-dioxolane-4-carbonyl]-3,6-dihydro-2H-pyridin-4-yl]-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl acetate.
What is the SMILES notation for [(5R)-3-[4-[1-[(4S)-2,2-dimethyl-1,3-dioxolane-4-carbonyl]-3,6-dihydro-2H-pyridin-4-yl]-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl acetate?
The canonical SMILES for [(5R)-3-[4-[1-[(4S)-2,2-dimethyl-1,3-dioxolane-4-carbonyl]-3,6-dihydro-2H-pyridin-4-yl]-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl acetate is CC(=O)OC[C@H]1CN(c2cc(F)c(C3=CCN(C(=O)[C@@H]4COC(C)(C)O4)CC3)c(F)c2)C(=O)O1.
What is the InChIKey of [(5R)-3-[4-[1-[(4S)-2,2-dimethyl-1,3-dioxolane-4-carbonyl]-3,6-dihydro-2H-pyridin-4-yl]-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl acetate?
The InChIKey is JWSAEMGHPJUICZ-APWZRJJASA-N. The full InChI is InChI=1S/C23H26F2N2O7/c1-13(28)31-11-16-10-27(22(30)33-16)15-8-17(24)20(18(25)9-15)14-4-6-26(7-5-14)21(29)19-12-32-23(2,3)34-19/h4,8-9,16,19H,5-7,10-12H2,1-3H3/t16-,19+/m1/s1.
What are the key properties of [(5R)-3-[4-[1-[(4S)-2,2-dimethyl-1,3-dioxolane-4-carbonyl]-3,6-dihydro-2H-pyridin-4-yl]-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl acetate?
[(5R)-3-[4-[1-[(4S)-2,2-dimethyl-1,3-dioxolane-4-carbonyl]-3,6-dihydro-2H-pyridin-4-yl]-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl acetate has a molecular weight of 480.46 g/mol, XLogP of 2.62, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(5R)-3-[4-[1-[(4S)-2,2-dimethyl-1,3-dioxolane-4-carbonyl]-3,6-dihydro-2H-pyridin-4-yl]-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl acetate is sourced from PubChem (CID 20725642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).