2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]-N-(4-piperidin-1-yl-3-pyridinyl)acetamide

C21H21ClN4O2 — CID 75463806

IUPAC2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]-N-(4-piperidin-1-yl-3-pyridinyl)acetamide
SMILESO=C(Cc1coc(-c2ccc(Cl)cc2)n1)Nc1cnccc1N1CCCCC1
InChIInChI=1S/C21H21ClN4O2/c22-16-6-4-15(5-7-16)21-24-17(14-28-21)12-20(27)25-18-13-23-9-8-19(18)26-10-2-1-3-11-26/h4-9,13-14H,1-3,10-12H2,(H,25,27)
InChIKeyGOSFNDVZUSBKLU-UHFFFAOYSA-N
MW396.88 g/mol
LogP4.56
Rot. Bonds5

About 2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]-N-(4-piperidin-1-yl-3-pyridinyl)acetamide

2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]-N-(4-piperidin-1-yl-3-pyridinyl)acetamide (PubChem CID 75463806) has the molecular formula C21H21ClN4O2 and a molecular weight of 396.88 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]-N-(4-piperidin-1-yl-3-pyridinyl)acetamide.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]-N-(4-piperidin-1-yl-3-pyridinyl)acetamide
PubChem CID75463806
Molecular FormulaC21H21ClN4O2
Molecular Weight396.88 g/mol
Exact Mass396.14
IUPAC Name2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]-N-(4-piperidin-1-yl-3-pyridinyl)acetamide
SMILESO=C(Cc1coc(-c2ccc(Cl)cc2)n1)Nc1cnccc1N1CCCCC1
InChIInChI=1S/C21H21ClN4O2/c22-16-6-4-15(5-7-16)21-24-17(14-28-21)12-20(27)25-18-13-23-9-8-19(18)26-10-2-1-3-11-26/h4-9,13-14H,1-3,10-12H2,(H,25,27)
InChIKeyGOSFNDVZUSBKLU-UHFFFAOYSA-N
XLogP4.56
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.88
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]-N-(4-piperidin-1-yl-3-pyridinyl)acetamide?
The IUPAC name of 2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]-N-(4-piperidin-1-yl-3-pyridinyl)acetamide (CID 75463806) is 2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]-N-(4-piperidin-1-yl-3-pyridinyl)acetamide.
What is the SMILES notation for 2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]-N-(4-piperidin-1-yl-3-pyridinyl)acetamide?
The canonical SMILES for 2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]-N-(4-piperidin-1-yl-3-pyridinyl)acetamide is O=C(Cc1coc(-c2ccc(Cl)cc2)n1)Nc1cnccc1N1CCCCC1.
What is the InChIKey of 2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]-N-(4-piperidin-1-yl-3-pyridinyl)acetamide?
The InChIKey is GOSFNDVZUSBKLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN4O2/c22-16-6-4-15(5-7-16)21-24-17(14-28-21)12-20(27)25-18-13-23-9-8-19(18)26-10-2-1-3-11-26/h4-9,13-14H,1-3,10-12H2,(H,25,27).
What are the key properties of 2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]-N-(4-piperidin-1-yl-3-pyridinyl)acetamide?
2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]-N-(4-piperidin-1-yl-3-pyridinyl)acetamide has a molecular weight of 396.88 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]-N-(4-piperidin-1-yl-3-pyridinyl)acetamide is sourced from PubChem (CID 75463806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).