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

C31H38FN5O6 — CID 147714918

IUPAC1-[3-[(4-acetylmorpholin-2-yl)methoxy]-4-methyl-1-phenylpyrazol-5-yl]-3-[(4R,5R)-5-(2-fluoro-4-pyridinyl)-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](c2ccnc(F)c2)O1
InChIInChI=1S/C31H38FN5O6/c1-21-28(17-26(39)15-24-18-36(12-13-40-3)43-30(24)23-9-10-33-29(32)16-23)37(25-7-5-4-6-8-25)34-31(21)42-20-27-19-35(22(2)38)11-14-41-27/h4-10,16,24,27,30H,11-15,17-20H2,1-3H3/t24-,27?,30+/m1/s1
InChIKeyGVLAIPPGCULWJM-JVVZTMHVSA-N
MW595.67 g/mol
LogP3.09
Rot. Bonds12

About 1-[3-[(4-acetylmorpholin-2-yl)methoxy]-4-methyl-1-phenylpyrazol-5-yl]-3-[(4R,5R)-5-(2-fluoro-4-pyridinyl)-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-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]propan-2-one (PubChem CID 147714918) has the molecular formula C31H38FN5O6 and a molecular weight of 595.67 g/mol. Its IUPAC name is 1-[3-[(4-acetylmorpholin-2-yl)methoxy]-4-methyl-1-phenylpyrazol-5-yl]-3-[(4R,5R)-5-(2-fluoro-4-pyridinyl)-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-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]propan-2-one
PubChem CID147714918
Molecular FormulaC31H38FN5O6
Molecular Weight595.67 g/mol
Exact Mass595.28
IUPAC Name1-[3-[(4-acetylmorpholin-2-yl)methoxy]-4-methyl-1-phenylpyrazol-5-yl]-3-[(4R,5R)-5-(2-fluoro-4-pyridinyl)-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](c2ccnc(F)c2)O1
InChIInChI=1S/C31H38FN5O6/c1-21-28(17-26(39)15-24-18-36(12-13-40-3)43-30(24)23-9-10-33-29(32)16-23)37(25-7-5-4-6-8-25)34-31(21)42-20-27-19-35(22(2)38)11-14-41-27/h4-10,16,24,27,30H,11-15,17-20H2,1-3H3/t24-,27?,30+/m1/s1
InChIKeyGVLAIPPGCULWJM-JVVZTMHVSA-N
XLogP3.09
TPSA108.25 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500595.67
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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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-(2-fluoro-4-pyridinyl)-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-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]propan-2-one (CID 147714918) is 1-[3-[(4-acetylmorpholin-2-yl)methoxy]-4-methyl-1-phenylpyrazol-5-yl]-3-[(4R,5R)-5-(2-fluoro-4-pyridinyl)-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-(2-fluoro-4-pyridinyl)-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-(2-fluoro-4-pyridinyl)-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](c2ccnc(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-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]propan-2-one?
The InChIKey is GVLAIPPGCULWJM-JVVZTMHVSA-N. The full InChI is InChI=1S/C31H38FN5O6/c1-21-28(17-26(39)15-24-18-36(12-13-40-3)43-30(24)23-9-10-33-29(32)16-23)37(25-7-5-4-6-8-25)34-31(21)42-20-27-19-35(22(2)38)11-14-41-27/h4-10,16,24,27,30H,11-15,17-20H2,1-3H3/t24-,27?,30+/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-(2-fluoro-4-pyridinyl)-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-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]propan-2-one has a molecular weight of 595.67 g/mol, XLogP of 3.09, 12 rotatable bonds, 0 hydrogen bond donors, and 10 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-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]propan-2-one is sourced from PubChem (CID 147714918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).