[5-[5-[[(4R,5S)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-1-methyl-2-oxo-3-pyridinyl]methyl acetate

C32H34F2N6O6 — CID 135226267

IUPAC[5-[5-[[(4R,5S)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-1-methyl-2-oxo-3-pyridinyl]methyl acetate
SMILESCOCCN1C[C@@H](NC(=O)Nc2c(C)c(-c3cc(COC(C)=O)c(=O)n(C)c3)nn2-c2ccccc2)[C@H](c2ccc(F)c(F)c2)O1
InChIInChI=1S/C32H34F2N6O6/c1-19-28(22-14-23(18-45-20(2)41)31(42)38(3)16-22)37-40(24-8-6-5-7-9-24)30(19)36-32(43)35-27-17-39(12-13-44-4)46-29(27)21-10-11-25(33)26(34)15-21/h5-11,14-16,27,29H,12-13,17-18H2,1-4H3,(H2,35,36,43)/t27-,29+/m1/s1
InChIKeyLYFJEPVPFCOJTE-PXJZQJOASA-N
MW636.66 g/mol
LogP4.01
Rot. Bonds10

About [5-[5-[[(4R,5S)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-1-methyl-2-oxo-3-pyridinyl]methyl acetate

[5-[5-[[(4R,5S)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-1-methyl-2-oxo-3-pyridinyl]methyl acetate (PubChem CID 135226267) has the molecular formula C32H34F2N6O6 and a molecular weight of 636.66 g/mol. Its IUPAC name is [5-[5-[[(4R,5S)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-1-methyl-2-oxo-3-pyridinyl]methyl acetate.

Molecular Properties

Compound Name[5-[5-[[(4R,5S)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-1-methyl-2-oxo-3-pyridinyl]methyl acetate
PubChem CID135226267
Molecular FormulaC32H34F2N6O6
Molecular Weight636.66 g/mol
Exact Mass636.25
IUPAC Name[5-[5-[[(4R,5S)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-1-methyl-2-oxo-3-pyridinyl]methyl acetate
SMILESCOCCN1C[C@@H](NC(=O)Nc2c(C)c(-c3cc(COC(C)=O)c(=O)n(C)c3)nn2-c2ccccc2)[C@H](c2ccc(F)c(F)c2)O1
InChIInChI=1S/C32H34F2N6O6/c1-19-28(22-14-23(18-45-20(2)41)31(42)38(3)16-22)37-40(24-8-6-5-7-9-24)30(19)36-32(43)35-27-17-39(12-13-44-4)46-29(27)21-10-11-25(33)26(34)15-21/h5-11,14-16,27,29H,12-13,17-18H2,1-4H3,(H2,35,36,43)/t27-,29+/m1/s1
InChIKeyLYFJEPVPFCOJTE-PXJZQJOASA-N
XLogP4.01
TPSA128.95 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms46
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500636.66
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze [5-[5-[[(4R,5S)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-1-methyl-2-oxo-3-pyridinyl]methyl acetate with MolForge

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Related Compounds

US10640495, Example I-31
CID 135226209
US10640495, Example I-344
CID 135226370
US10640495, Example I-108
CID 135230660
US10323022, Example 291
CID 71015460
US10323022, Example 535
CID 71015933
US10323022, Example 601
CID 71041462
US10323022, Example 536
CID 71041555
US9896435, Example 29
CID 76285182
US10323022, Example 506
CID 118128690
US10323022, Example 589
CID 118129133
US10640495, Example I-36
CID 134567792
US10640495, Example I-50
CID 135226236

Frequently Asked Questions

What is the IUPAC name of [5-[5-[[(4R,5S)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-1-methyl-2-oxo-3-pyridinyl]methyl acetate?
The IUPAC name of [5-[5-[[(4R,5S)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-1-methyl-2-oxo-3-pyridinyl]methyl acetate (CID 135226267) is [5-[5-[[(4R,5S)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-1-methyl-2-oxo-3-pyridinyl]methyl acetate.
What is the SMILES notation for [5-[5-[[(4R,5S)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-1-methyl-2-oxo-3-pyridinyl]methyl acetate?
The canonical SMILES for [5-[5-[[(4R,5S)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-1-methyl-2-oxo-3-pyridinyl]methyl acetate is COCCN1C[C@@H](NC(=O)Nc2c(C)c(-c3cc(COC(C)=O)c(=O)n(C)c3)nn2-c2ccccc2)[C@H](c2ccc(F)c(F)c2)O1.
What is the InChIKey of [5-[5-[[(4R,5S)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-1-methyl-2-oxo-3-pyridinyl]methyl acetate?
The InChIKey is LYFJEPVPFCOJTE-PXJZQJOASA-N. The full InChI is InChI=1S/C32H34F2N6O6/c1-19-28(22-14-23(18-45-20(2)41)31(42)38(3)16-22)37-40(24-8-6-5-7-9-24)30(19)36-32(43)35-27-17-39(12-13-44-4)46-29(27)21-10-11-25(33)26(34)15-21/h5-11,14-16,27,29H,12-13,17-18H2,1-4H3,(H2,35,36,43)/t27-,29+/m1/s1.
What are the key properties of [5-[5-[[(4R,5S)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-1-methyl-2-oxo-3-pyridinyl]methyl acetate?
[5-[5-[[(4R,5S)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-1-methyl-2-oxo-3-pyridinyl]methyl acetate has a molecular weight of 636.66 g/mol, XLogP of 4.01, 10 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[5-[[(4R,5S)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-1-methyl-2-oxo-3-pyridinyl]methyl acetate is sourced from PubChem (CID 135226267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).