N-[(4R,5S)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-2-[3-[1-(2-hydroxyacetyl)-3,6-dihydro-2H-pyridin-4-yl]-4-methyl-1-phenylpyrazol-5-yl]acetamide

C31H35F2N5O5 — CID 147109589

About N-[(4R,5S)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-2-[3-[1-(2-hydroxyacetyl)-3,6-dihydro-2H-pyridin-4-yl]-4-methyl-1-phenylpyrazol-5-yl]acetamide

N-[(4R,5S)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-2-[3-[1-(2-hydroxyacetyl)-3,6-dihydro-2H-pyridin-4-yl]-4-methyl-1-phenylpyrazol-5-yl]acetamide (PubChem CID 147109589) has the molecular formula C31H35F2N5O5 and a molecular weight of 595.65 g/mol. Its IUPAC name is N-[(4R,5S)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-2-[3-[1-(2-hydroxyacetyl)-3,6-dihydro-2H-pyridin-4-yl]-4-methyl-1-phenylpyrazol-5-yl]acetamide.

Molecular Properties

• Compound Name: N-[(4R,5S)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-2-[3-[1-(2-hydroxyacetyl)-3,6-dihydro-2H-pyridin-4-yl]-4-methyl-1-phenylpyrazol-5-yl]acetamide
• PubChem CID: 147109589
• Molecular Formula: C31H35F2N5O5
• Molecular Weight: 595.65 g/mol
• Exact Mass: 595.26
• IUPAC Name: N-[(4R,5S)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-2-[3-[1-(2-hydroxyacetyl)-3,6-dihydro-2H-pyridin-4-yl]-4-methyl-1-phenylpyrazol-5-yl]acetamide
• SMILES: COCCN1C[C@@H](NC(=O)Cc2c(C)c(C3=CCN(C(=O)CO)CC3)nn2-c2ccccc2)[C@H](c2ccc(F)c(F)c2)O1
• InChI: InChI=1S/C31H35F2N5O5/c1-20-27(38(23-6-4-3-5-7-23)35-30(20)21-10-12-36(13-11-21)29(41)19-39)17-28(40)34-26-18-37(14-15-42-2)43-31(26)22-8-9-24(32)25(33)16-22/h3-10,16,26,31,39H,11-15,17-19H2,1-2H3,(H,34,40)/t26-,31+/m1/s1
• InChIKey: BMFYTYNASNOVAI-NEEKEDPPSA-N
• XLogP: 2.73
• TPSA: 109.16 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	595.65
LogP ≤ 5	2.73
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[(4R,5S)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-2-[3-[1-(2-hydroxyacetyl)-3,6-dihydro-2H-pyridin-4-yl]-4-methyl-1-phenylpyrazol-5-yl]acetamide?

The IUPAC name of N-[(4R,5S)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-2-[3-[1-(2-hydroxyacetyl)-3,6-dihydro-2H-pyridin-4-yl]-4-methyl-1-phenylpyrazol-5-yl]acetamide (CID 147109589) is N-[(4R,5S)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-2-[3-[1-(2-hydroxyacetyl)-3,6-dihydro-2H-pyridin-4-yl]-4-methyl-1-phenylpyrazol-5-yl]acetamide.

What is the SMILES notation for N-[(4R,5S)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-2-[3-[1-(2-hydroxyacetyl)-3,6-dihydro-2H-pyridin-4-yl]-4-methyl-1-phenylpyrazol-5-yl]acetamide?

The canonical SMILES for N-[(4R,5S)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-2-[3-[1-(2-hydroxyacetyl)-3,6-dihydro-2H-pyridin-4-yl]-4-methyl-1-phenylpyrazol-5-yl]acetamide is COCCN1C[C@@H](NC(=O)Cc2c(C)c(C3=CCN(C(=O)CO)CC3)nn2-c2ccccc2)[C@H](c2ccc(F)c(F)c2)O1.

What is the InChIKey of N-[(4R,5S)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-2-[3-[1-(2-hydroxyacetyl)-3,6-dihydro-2H-pyridin-4-yl]-4-methyl-1-phenylpyrazol-5-yl]acetamide?

The InChIKey is BMFYTYNASNOVAI-NEEKEDPPSA-N. The full InChI is InChI=1S/C31H35F2N5O5/c1-20-27(38(23-6-4-3-5-7-23)35-30(20)21-10-12-36(13-11-21)29(41)19-39)17-28(40)34-26-18-37(14-15-42-2)43-31(26)22-8-9-24(32)25(33)16-22/h3-10,16,26,31,39H,11-15,17-19H2,1-2H3,(H,34,40)/t26-,31+/m1/s1.

What are the key properties of N-[(4R,5S)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-2-[3-[1-(2-hydroxyacetyl)-3,6-dihydro-2H-pyridin-4-yl]-4-methyl-1-phenylpyrazol-5-yl]acetamide?

N-[(4R,5S)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-2-[3-[1-(2-hydroxyacetyl)-3,6-dihydro-2H-pyridin-4-yl]-4-methyl-1-phenylpyrazol-5-yl]acetamide has a molecular weight of 595.65 g/mol, XLogP of 2.73, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4R,5S)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-2-[3-[1-(2-hydroxyacetyl)-3,6-dihydro-2H-pyridin-4-yl]-4-methyl-1-phenylpyrazol-5-yl]acetamide is sourced from PubChem (CID 147109589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).