3-[(3R)-1-(cyclohexanecarbonyl)piperidin-3-yl]-N-(2-propan-2-ylphenyl)-1,2-oxazole-5-carboxamide

C25H33N3O3 — CID 92581242

IUPAC3-[(3R)-1-(cyclohexanecarbonyl)piperidin-3-yl]-N-(2-propan-2-ylphenyl)-1,2-oxazole-5-carboxamide
SMILESCC(C)c1ccccc1NC(=O)c1cc([C@@H]2CCCN(C(=O)C3CCCCC3)C2)no1
InChIInChI=1S/C25H33N3O3/c1-17(2)20-12-6-7-13-21(20)26-24(29)23-15-22(27-31-23)19-11-8-14-28(16-19)25(30)18-9-4-3-5-10-18/h6-7,12-13,15,17-19H,3-5,8-11,14,16H2,1-2H3,(H,26,29)/t19-/m1/s1
InChIKeyALIQJGZEDNHTSX-LJQANCHMSA-N
MW423.56 g/mol
LogP5.34
Rot. Bonds5

About 3-[(3R)-1-(cyclohexanecarbonyl)piperidin-3-yl]-N-(2-propan-2-ylphenyl)-1,2-oxazole-5-carboxamide

3-[(3R)-1-(cyclohexanecarbonyl)piperidin-3-yl]-N-(2-propan-2-ylphenyl)-1,2-oxazole-5-carboxamide (PubChem CID 92581242) has the molecular formula C25H33N3O3 and a molecular weight of 423.56 g/mol. Its IUPAC name is 3-[(3R)-1-(cyclohexanecarbonyl)piperidin-3-yl]-N-(2-propan-2-ylphenyl)-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-[(3R)-1-(cyclohexanecarbonyl)piperidin-3-yl]-N-(2-propan-2-ylphenyl)-1,2-oxazole-5-carboxamide
PubChem CID92581242
Molecular FormulaC25H33N3O3
Molecular Weight423.56 g/mol
Exact Mass423.25
IUPAC Name3-[(3R)-1-(cyclohexanecarbonyl)piperidin-3-yl]-N-(2-propan-2-ylphenyl)-1,2-oxazole-5-carboxamide
SMILESCC(C)c1ccccc1NC(=O)c1cc([C@@H]2CCCN(C(=O)C3CCCCC3)C2)no1
InChIInChI=1S/C25H33N3O3/c1-17(2)20-12-6-7-13-21(20)26-24(29)23-15-22(27-31-23)19-11-8-14-28(16-19)25(30)18-9-4-3-5-10-18/h6-7,12-13,15,17-19H,3-5,8-11,14,16H2,1-2H3,(H,26,29)/t19-/m1/s1
InChIKeyALIQJGZEDNHTSX-LJQANCHMSA-N
XLogP5.34
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.56
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-1-(cyclohexanecarbonyl)piperidin-3-yl]-N-(2-propan-2-ylphenyl)-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-[(3R)-1-(cyclohexanecarbonyl)piperidin-3-yl]-N-(2-propan-2-ylphenyl)-1,2-oxazole-5-carboxamide (CID 92581242) is 3-[(3R)-1-(cyclohexanecarbonyl)piperidin-3-yl]-N-(2-propan-2-ylphenyl)-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-[(3R)-1-(cyclohexanecarbonyl)piperidin-3-yl]-N-(2-propan-2-ylphenyl)-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-[(3R)-1-(cyclohexanecarbonyl)piperidin-3-yl]-N-(2-propan-2-ylphenyl)-1,2-oxazole-5-carboxamide is CC(C)c1ccccc1NC(=O)c1cc([C@@H]2CCCN(C(=O)C3CCCCC3)C2)no1.
What is the InChIKey of 3-[(3R)-1-(cyclohexanecarbonyl)piperidin-3-yl]-N-(2-propan-2-ylphenyl)-1,2-oxazole-5-carboxamide?
The InChIKey is ALIQJGZEDNHTSX-LJQANCHMSA-N. The full InChI is InChI=1S/C25H33N3O3/c1-17(2)20-12-6-7-13-21(20)26-24(29)23-15-22(27-31-23)19-11-8-14-28(16-19)25(30)18-9-4-3-5-10-18/h6-7,12-13,15,17-19H,3-5,8-11,14,16H2,1-2H3,(H,26,29)/t19-/m1/s1.
What are the key properties of 3-[(3R)-1-(cyclohexanecarbonyl)piperidin-3-yl]-N-(2-propan-2-ylphenyl)-1,2-oxazole-5-carboxamide?
3-[(3R)-1-(cyclohexanecarbonyl)piperidin-3-yl]-N-(2-propan-2-ylphenyl)-1,2-oxazole-5-carboxamide has a molecular weight of 423.56 g/mol, XLogP of 5.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-1-(cyclohexanecarbonyl)piperidin-3-yl]-N-(2-propan-2-ylphenyl)-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 92581242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).