2-[4-hydroxy-1-(4-propan-2-ylphenyl)piperidin-4-yl]-N-(2-oxo-3H-1,3-benzoxazol-6-yl)acetamide

C23H27N3O4 — CID 24809573

IUPAC2-[4-hydroxy-1-(4-propan-2-ylphenyl)piperidin-4-yl]-N-(2-oxo-3H-1,3-benzoxazol-6-yl)acetamide
SMILESCC(C)c1ccc(N2CCC(O)(CC(=O)Nc3ccc4[nH]c(=O)oc4c3)CC2)cc1
InChIInChI=1S/C23H27N3O4/c1-15(2)16-3-6-18(7-4-16)26-11-9-23(29,10-12-26)14-21(27)24-17-5-8-19-20(13-17)30-22(28)25-19/h3-8,13,15,29H,9-12,14H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyRZBVWCPZUGRLKY-UHFFFAOYSA-N
MW409.49 g/mol
LogP3.60
Rot. Bonds5

About 2-[4-hydroxy-1-(4-propan-2-ylphenyl)piperidin-4-yl]-N-(2-oxo-3H-1,3-benzoxazol-6-yl)acetamide

2-[4-hydroxy-1-(4-propan-2-ylphenyl)piperidin-4-yl]-N-(2-oxo-3H-1,3-benzoxazol-6-yl)acetamide (PubChem CID 24809573) has the molecular formula C23H27N3O4 and a molecular weight of 409.49 g/mol. Its IUPAC name is 2-[4-hydroxy-1-(4-propan-2-ylphenyl)piperidin-4-yl]-N-(2-oxo-3H-1,3-benzoxazol-6-yl)acetamide.

Molecular Properties

Compound Name2-[4-hydroxy-1-(4-propan-2-ylphenyl)piperidin-4-yl]-N-(2-oxo-3H-1,3-benzoxazol-6-yl)acetamide
PubChem CID24809573
Molecular FormulaC23H27N3O4
Molecular Weight409.49 g/mol
Exact Mass409.20
IUPAC Name2-[4-hydroxy-1-(4-propan-2-ylphenyl)piperidin-4-yl]-N-(2-oxo-3H-1,3-benzoxazol-6-yl)acetamide
SMILESCC(C)c1ccc(N2CCC(O)(CC(=O)Nc3ccc4[nH]c(=O)oc4c3)CC2)cc1
InChIInChI=1S/C23H27N3O4/c1-15(2)16-3-6-18(7-4-16)26-11-9-23(29,10-12-26)14-21(27)24-17-5-8-19-20(13-17)30-22(28)25-19/h3-8,13,15,29H,9-12,14H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyRZBVWCPZUGRLKY-UHFFFAOYSA-N
XLogP3.60
TPSA98.57 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 53.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

2-[1-(4-fluorophenyl)piperidin-4-yl]-N-(2-oxo-3H-1,3-benzoxazol-6-yl)acetamide
CID 25256884
2-hydroxy-N-(2-oxo-3H-1,3-benzoxazol-6-yl)acetamide
CID 83820376
2-[1-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-4-yl]-N-(2-oxo-3H-1,3-benzoxazol-6-yl)acetamide
CID 25257107
4-(methylamino)-N-(2-oxo-3H-1,3-benzoxazol-6-yl)butanamide
CID 110838149
3-chloro-N-(2-oxo-3H-1,3-benzoxazol-6-yl)propanamide
CID 11543243
2-methyl-N-(2-oxo-3H-1,3-benzoxazol-6-yl)-3-phenylpropanamide
CID 110608124
2-oxo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)propanamide
CID 115175381
N-(2-oxo-3H-1,3-benzoxazol-6-yl)-2-[1-[4-(trifluoromethyl)phenyl]piperidin-4-ylidene]acetamide
CID 25260087
2-[4-hydroxy-1-(4-propan-2-ylphenyl)piperidin-4-yl]-1-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 156516046
1-cyano-N-(2-oxo-3H-1,3-benzoxazol-6-yl)cyclopropane-1-carboxamide
CID 115181430
2-(1-ethyl-4-hydroxypiperidin-4-yl)-1-[7-(4-propan-2-ylphenyl)-2,7-diazaspiro[3.5]nonan-2-yl]ethanone
CID 177010976
N-(3-chlorophenyl)-4-(2-oxo-3H-1,3-benzoxazol-6-yl)piperazine-1-carboxamide
CID 110361358

Frequently Asked Questions

What is the IUPAC name of 2-[4-hydroxy-1-(4-propan-2-ylphenyl)piperidin-4-yl]-N-(2-oxo-3H-1,3-benzoxazol-6-yl)acetamide?
The IUPAC name of 2-[4-hydroxy-1-(4-propan-2-ylphenyl)piperidin-4-yl]-N-(2-oxo-3H-1,3-benzoxazol-6-yl)acetamide (CID 24809573) is 2-[4-hydroxy-1-(4-propan-2-ylphenyl)piperidin-4-yl]-N-(2-oxo-3H-1,3-benzoxazol-6-yl)acetamide.
What is the SMILES notation for 2-[4-hydroxy-1-(4-propan-2-ylphenyl)piperidin-4-yl]-N-(2-oxo-3H-1,3-benzoxazol-6-yl)acetamide?
The canonical SMILES for 2-[4-hydroxy-1-(4-propan-2-ylphenyl)piperidin-4-yl]-N-(2-oxo-3H-1,3-benzoxazol-6-yl)acetamide is CC(C)c1ccc(N2CCC(O)(CC(=O)Nc3ccc4[nH]c(=O)oc4c3)CC2)cc1.
What is the InChIKey of 2-[4-hydroxy-1-(4-propan-2-ylphenyl)piperidin-4-yl]-N-(2-oxo-3H-1,3-benzoxazol-6-yl)acetamide?
The InChIKey is RZBVWCPZUGRLKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O4/c1-15(2)16-3-6-18(7-4-16)26-11-9-23(29,10-12-26)14-21(27)24-17-5-8-19-20(13-17)30-22(28)25-19/h3-8,13,15,29H,9-12,14H2,1-2H3,(H,24,27)(H,25,28).
What are the key properties of 2-[4-hydroxy-1-(4-propan-2-ylphenyl)piperidin-4-yl]-N-(2-oxo-3H-1,3-benzoxazol-6-yl)acetamide?
2-[4-hydroxy-1-(4-propan-2-ylphenyl)piperidin-4-yl]-N-(2-oxo-3H-1,3-benzoxazol-6-yl)acetamide has a molecular weight of 409.49 g/mol, XLogP of 3.60, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-hydroxy-1-(4-propan-2-ylphenyl)piperidin-4-yl]-N-(2-oxo-3H-1,3-benzoxazol-6-yl)acetamide is sourced from PubChem (CID 24809573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).