2-[(5-methyl-1,2-oxazol-3-yl)oxy]-N-(4-piperidin-1-ylphenyl)acetamide

C17H21N3O3 — CID 17396381

IUPAC2-[(5-methyl-1,2-oxazol-3-yl)oxy]-N-(4-piperidin-1-ylphenyl)acetamide
SMILESCc1cc(OCC(=O)Nc2ccc(N3CCCCC3)cc2)no1
InChIInChI=1S/C17H21N3O3/c1-13-11-17(19-23-13)22-12-16(21)18-14-5-7-15(8-6-14)20-9-3-2-4-10-20/h5-8,11H,2-4,9-10,12H2,1H3,(H,18,21)
InChIKeyRVGKXQORLFBWAJ-UHFFFAOYSA-N
MW315.37 g/mol
LogP2.99
Rot. Bonds5

About 2-[(5-methyl-1,2-oxazol-3-yl)oxy]-N-(4-piperidin-1-ylphenyl)acetamide

2-[(5-methyl-1,2-oxazol-3-yl)oxy]-N-(4-piperidin-1-ylphenyl)acetamide (PubChem CID 17396381) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is 2-[(5-methyl-1,2-oxazol-3-yl)oxy]-N-(4-piperidin-1-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[(5-methyl-1,2-oxazol-3-yl)oxy]-N-(4-piperidin-1-ylphenyl)acetamide
PubChem CID17396381
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name2-[(5-methyl-1,2-oxazol-3-yl)oxy]-N-(4-piperidin-1-ylphenyl)acetamide
SMILESCc1cc(OCC(=O)Nc2ccc(N3CCCCC3)cc2)no1
InChIInChI=1S/C17H21N3O3/c1-13-11-17(19-23-13)22-12-16(21)18-14-5-7-15(8-6-14)20-9-3-2-4-10-20/h5-8,11H,2-4,9-10,12H2,1H3,(H,18,21)
InChIKeyRVGKXQORLFBWAJ-UHFFFAOYSA-N
XLogP2.99
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-1,2-oxazol-3-yl)oxy]-N-(4-piperidin-1-ylphenyl)acetamide?
The IUPAC name of 2-[(5-methyl-1,2-oxazol-3-yl)oxy]-N-(4-piperidin-1-ylphenyl)acetamide (CID 17396381) is 2-[(5-methyl-1,2-oxazol-3-yl)oxy]-N-(4-piperidin-1-ylphenyl)acetamide.
What is the SMILES notation for 2-[(5-methyl-1,2-oxazol-3-yl)oxy]-N-(4-piperidin-1-ylphenyl)acetamide?
The canonical SMILES for 2-[(5-methyl-1,2-oxazol-3-yl)oxy]-N-(4-piperidin-1-ylphenyl)acetamide is Cc1cc(OCC(=O)Nc2ccc(N3CCCCC3)cc2)no1.
What is the InChIKey of 2-[(5-methyl-1,2-oxazol-3-yl)oxy]-N-(4-piperidin-1-ylphenyl)acetamide?
The InChIKey is RVGKXQORLFBWAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-13-11-17(19-23-13)22-12-16(21)18-14-5-7-15(8-6-14)20-9-3-2-4-10-20/h5-8,11H,2-4,9-10,12H2,1H3,(H,18,21).
What are the key properties of 2-[(5-methyl-1,2-oxazol-3-yl)oxy]-N-(4-piperidin-1-ylphenyl)acetamide?
2-[(5-methyl-1,2-oxazol-3-yl)oxy]-N-(4-piperidin-1-ylphenyl)acetamide has a molecular weight of 315.37 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-1,2-oxazol-3-yl)oxy]-N-(4-piperidin-1-ylphenyl)acetamide is sourced from PubChem (CID 17396381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).