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

C17H20ClN3O2 — CID 120556031

IUPAC2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]-N-(3-methylpiperidin-4-yl)acetamide
SMILESCC1CNCCC1NC(=O)Cc1coc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C17H20ClN3O2/c1-11-9-19-7-6-15(11)21-16(22)8-14-10-23-17(20-14)12-2-4-13(18)5-3-12/h2-5,10-11,15,19H,6-9H2,1H3,(H,21,22)
InChIKeyROAGLWQCNXTMFS-UHFFFAOYSA-N
MW333.82 g/mol
LogP2.65
Rot. Bonds4

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

2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]-N-(3-methylpiperidin-4-yl)acetamide (PubChem CID 120556031) has the molecular formula C17H20ClN3O2 and a molecular weight of 333.82 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]-N-(3-methylpiperidin-4-yl)acetamide.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]-N-(3-methylpiperidin-4-yl)acetamide
PubChem CID120556031
Molecular FormulaC17H20ClN3O2
Molecular Weight333.82 g/mol
Exact Mass333.12
IUPAC Name2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]-N-(3-methylpiperidin-4-yl)acetamide
SMILESCC1CNCCC1NC(=O)Cc1coc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C17H20ClN3O2/c1-11-9-19-7-6-15(11)21-16(22)8-14-10-23-17(20-14)12-2-4-13(18)5-3-12/h2-5,10-11,15,19H,6-9H2,1H3,(H,21,22)
InChIKeyROAGLWQCNXTMFS-UHFFFAOYSA-N
XLogP2.65
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]-N-(3-methylpiperidin-4-yl)acetamide?
The IUPAC name of 2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]-N-(3-methylpiperidin-4-yl)acetamide (CID 120556031) is 2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]-N-(3-methylpiperidin-4-yl)acetamide.
What is the SMILES notation for 2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]-N-(3-methylpiperidin-4-yl)acetamide?
The canonical SMILES for 2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]-N-(3-methylpiperidin-4-yl)acetamide is CC1CNCCC1NC(=O)Cc1coc(-c2ccc(Cl)cc2)n1.
What is the InChIKey of 2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]-N-(3-methylpiperidin-4-yl)acetamide?
The InChIKey is ROAGLWQCNXTMFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O2/c1-11-9-19-7-6-15(11)21-16(22)8-14-10-23-17(20-14)12-2-4-13(18)5-3-12/h2-5,10-11,15,19H,6-9H2,1H3,(H,21,22).
What are the key properties of 2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]-N-(3-methylpiperidin-4-yl)acetamide?
2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]-N-(3-methylpiperidin-4-yl)acetamide has a molecular weight of 333.82 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]-N-(3-methylpiperidin-4-yl)acetamide is sourced from PubChem (CID 120556031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).