2-(3-fluoro-4-methylphenyl)-N-[(3R,4S)-3-hydroxy-1-(1,3-oxazole-4-carbonyl)-4-phenylpiperidin-4-yl]acetamide

C24H24FN3O4 — CID 171915268

IUPAC2-(3-fluoro-4-methylphenyl)-N-[(3R,4S)-3-hydroxy-1-(1,3-oxazole-4-carbonyl)-4-phenylpiperidin-4-yl]acetamide
SMILESCc1ccc(CC(=O)N[C@]2(c3ccccc3)CCN(C(=O)c3cocn3)C[C@H]2O)cc1F
InChIInChI=1S/C24H24FN3O4/c1-16-7-8-17(11-19(16)25)12-22(30)27-24(18-5-3-2-4-6-18)9-10-28(13-21(24)29)23(31)20-14-32-15-26-20/h2-8,11,14-15,21,29H,9-10,12-13H2,1H3,(H,27,30)/t21-,24+/m1/s1
InChIKeyWHYDGBAHILTBNG-QPPBQGQZSA-N
MW437.47 g/mol
LogP2.58
Rot. Bonds5

About 2-(3-fluoro-4-methylphenyl)-N-[(3R,4S)-3-hydroxy-1-(1,3-oxazole-4-carbonyl)-4-phenylpiperidin-4-yl]acetamide

2-(3-fluoro-4-methylphenyl)-N-[(3R,4S)-3-hydroxy-1-(1,3-oxazole-4-carbonyl)-4-phenylpiperidin-4-yl]acetamide (PubChem CID 171915268) has the molecular formula C24H24FN3O4 and a molecular weight of 437.47 g/mol. Its IUPAC name is 2-(3-fluoro-4-methylphenyl)-N-[(3R,4S)-3-hydroxy-1-(1,3-oxazole-4-carbonyl)-4-phenylpiperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-(3-fluoro-4-methylphenyl)-N-[(3R,4S)-3-hydroxy-1-(1,3-oxazole-4-carbonyl)-4-phenylpiperidin-4-yl]acetamide
PubChem CID171915268
Molecular FormulaC24H24FN3O4
Molecular Weight437.47 g/mol
Exact Mass437.18
IUPAC Name2-(3-fluoro-4-methylphenyl)-N-[(3R,4S)-3-hydroxy-1-(1,3-oxazole-4-carbonyl)-4-phenylpiperidin-4-yl]acetamide
SMILESCc1ccc(CC(=O)N[C@]2(c3ccccc3)CCN(C(=O)c3cocn3)C[C@H]2O)cc1F
InChIInChI=1S/C24H24FN3O4/c1-16-7-8-17(11-19(16)25)12-22(30)27-24(18-5-3-2-4-6-18)9-10-28(13-21(24)29)23(31)20-14-32-15-26-20/h2-8,11,14-15,21,29H,9-10,12-13H2,1H3,(H,27,30)/t21-,24+/m1/s1
InChIKeyWHYDGBAHILTBNG-QPPBQGQZSA-N
XLogP2.58
TPSA95.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.47
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-methylphenyl)-N-[(3R,4S)-3-hydroxy-1-(1,3-oxazole-4-carbonyl)-4-phenylpiperidin-4-yl]acetamide?
The IUPAC name of 2-(3-fluoro-4-methylphenyl)-N-[(3R,4S)-3-hydroxy-1-(1,3-oxazole-4-carbonyl)-4-phenylpiperidin-4-yl]acetamide (CID 171915268) is 2-(3-fluoro-4-methylphenyl)-N-[(3R,4S)-3-hydroxy-1-(1,3-oxazole-4-carbonyl)-4-phenylpiperidin-4-yl]acetamide.
What is the SMILES notation for 2-(3-fluoro-4-methylphenyl)-N-[(3R,4S)-3-hydroxy-1-(1,3-oxazole-4-carbonyl)-4-phenylpiperidin-4-yl]acetamide?
The canonical SMILES for 2-(3-fluoro-4-methylphenyl)-N-[(3R,4S)-3-hydroxy-1-(1,3-oxazole-4-carbonyl)-4-phenylpiperidin-4-yl]acetamide is Cc1ccc(CC(=O)N[C@]2(c3ccccc3)CCN(C(=O)c3cocn3)C[C@H]2O)cc1F.
What is the InChIKey of 2-(3-fluoro-4-methylphenyl)-N-[(3R,4S)-3-hydroxy-1-(1,3-oxazole-4-carbonyl)-4-phenylpiperidin-4-yl]acetamide?
The InChIKey is WHYDGBAHILTBNG-QPPBQGQZSA-N. The full InChI is InChI=1S/C24H24FN3O4/c1-16-7-8-17(11-19(16)25)12-22(30)27-24(18-5-3-2-4-6-18)9-10-28(13-21(24)29)23(31)20-14-32-15-26-20/h2-8,11,14-15,21,29H,9-10,12-13H2,1H3,(H,27,30)/t21-,24+/m1/s1.
What are the key properties of 2-(3-fluoro-4-methylphenyl)-N-[(3R,4S)-3-hydroxy-1-(1,3-oxazole-4-carbonyl)-4-phenylpiperidin-4-yl]acetamide?
2-(3-fluoro-4-methylphenyl)-N-[(3R,4S)-3-hydroxy-1-(1,3-oxazole-4-carbonyl)-4-phenylpiperidin-4-yl]acetamide has a molecular weight of 437.47 g/mol, XLogP of 2.58, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-methylphenyl)-N-[(3R,4S)-3-hydroxy-1-(1,3-oxazole-4-carbonyl)-4-phenylpiperidin-4-yl]acetamide is sourced from PubChem (CID 171915268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).