1-[3-[(4-acetylmorpholin-2-yl)methoxy]-4-methyl-1-phenylpyrazol-5-yl]-3-[(4R,5R)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]propan-2-one

C32H38F2N4O6 — CID 149474226

IUPAC1-[3-[(4-acetylmorpholin-2-yl)methoxy]-4-methyl-1-phenylpyrazol-5-yl]-3-[(4R,5R)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]propan-2-one
SMILESCOCCN1C[C@@H](CC(=O)Cc2c(C)c(OCC3CN(C(C)=O)CCO3)nn2-c2ccccc2)[C@H](c2ccc(F)c(F)c2)O1
InChIInChI=1S/C32H38F2N4O6/c1-21-30(17-26(40)15-24-18-37(12-13-41-3)44-31(24)23-9-10-28(33)29(34)16-23)38(25-7-5-4-6-8-25)35-32(21)43-20-27-19-36(22(2)39)11-14-42-27/h4-10,16,24,27,31H,11-15,17-20H2,1-3H3/t24-,27?,31+/m1/s1
InChIKeyZBYQQQZRVFJWDO-MGVVVVGMSA-N
MW612.67 g/mol
LogP3.84
Rot. Bonds12

About 1-[3-[(4-acetylmorpholin-2-yl)methoxy]-4-methyl-1-phenylpyrazol-5-yl]-3-[(4R,5R)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]propan-2-one

1-[3-[(4-acetylmorpholin-2-yl)methoxy]-4-methyl-1-phenylpyrazol-5-yl]-3-[(4R,5R)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]propan-2-one (PubChem CID 149474226) has the molecular formula C32H38F2N4O6 and a molecular weight of 612.67 g/mol. Its IUPAC name is 1-[3-[(4-acetylmorpholin-2-yl)methoxy]-4-methyl-1-phenylpyrazol-5-yl]-3-[(4R,5R)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]propan-2-one.

Molecular Properties

Compound Name1-[3-[(4-acetylmorpholin-2-yl)methoxy]-4-methyl-1-phenylpyrazol-5-yl]-3-[(4R,5R)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]propan-2-one
PubChem CID149474226
Molecular FormulaC32H38F2N4O6
Molecular Weight612.67 g/mol
Exact Mass612.28
IUPAC Name1-[3-[(4-acetylmorpholin-2-yl)methoxy]-4-methyl-1-phenylpyrazol-5-yl]-3-[(4R,5R)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]propan-2-one
SMILESCOCCN1C[C@@H](CC(=O)Cc2c(C)c(OCC3CN(C(C)=O)CCO3)nn2-c2ccccc2)[C@H](c2ccc(F)c(F)c2)O1
InChIInChI=1S/C32H38F2N4O6/c1-21-30(17-26(40)15-24-18-37(12-13-41-3)44-31(24)23-9-10-28(33)29(34)16-23)38(25-7-5-4-6-8-25)35-32(21)43-20-27-19-36(22(2)39)11-14-42-27/h4-10,16,24,27,31H,11-15,17-20H2,1-3H3/t24-,27?,31+/m1/s1
InChIKeyZBYQQQZRVFJWDO-MGVVVVGMSA-N
XLogP3.84
TPSA95.36 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500612.67
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 1-[3-[(4-acetylmorpholin-2-yl)methoxy]-4-methyl-1-phenylpyrazol-5-yl]-3-[(4R,5R)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]propan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(4-acetylmorpholin-2-yl)methoxy]-4-methyl-1-phenylpyrazol-5-yl]-3-[(4R,5R)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]propan-2-one?
The IUPAC name of 1-[3-[(4-acetylmorpholin-2-yl)methoxy]-4-methyl-1-phenylpyrazol-5-yl]-3-[(4R,5R)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]propan-2-one (CID 149474226) is 1-[3-[(4-acetylmorpholin-2-yl)methoxy]-4-methyl-1-phenylpyrazol-5-yl]-3-[(4R,5R)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]propan-2-one.
What is the SMILES notation for 1-[3-[(4-acetylmorpholin-2-yl)methoxy]-4-methyl-1-phenylpyrazol-5-yl]-3-[(4R,5R)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]propan-2-one?
The canonical SMILES for 1-[3-[(4-acetylmorpholin-2-yl)methoxy]-4-methyl-1-phenylpyrazol-5-yl]-3-[(4R,5R)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]propan-2-one is COCCN1C[C@@H](CC(=O)Cc2c(C)c(OCC3CN(C(C)=O)CCO3)nn2-c2ccccc2)[C@H](c2ccc(F)c(F)c2)O1.
What is the InChIKey of 1-[3-[(4-acetylmorpholin-2-yl)methoxy]-4-methyl-1-phenylpyrazol-5-yl]-3-[(4R,5R)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]propan-2-one?
The InChIKey is ZBYQQQZRVFJWDO-MGVVVVGMSA-N. The full InChI is InChI=1S/C32H38F2N4O6/c1-21-30(17-26(40)15-24-18-37(12-13-41-3)44-31(24)23-9-10-28(33)29(34)16-23)38(25-7-5-4-6-8-25)35-32(21)43-20-27-19-36(22(2)39)11-14-42-27/h4-10,16,24,27,31H,11-15,17-20H2,1-3H3/t24-,27?,31+/m1/s1.
What are the key properties of 1-[3-[(4-acetylmorpholin-2-yl)methoxy]-4-methyl-1-phenylpyrazol-5-yl]-3-[(4R,5R)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]propan-2-one?
1-[3-[(4-acetylmorpholin-2-yl)methoxy]-4-methyl-1-phenylpyrazol-5-yl]-3-[(4R,5R)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]propan-2-one has a molecular weight of 612.67 g/mol, XLogP of 3.84, 12 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(4-acetylmorpholin-2-yl)methoxy]-4-methyl-1-phenylpyrazol-5-yl]-3-[(4R,5R)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]propan-2-one is sourced from PubChem (CID 149474226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).