5-methyl-N-(4-piperidin-1-ylphenyl)-1,2-oxazole-3-carboxamide

C16H19N3O2 — CID 2814205

IUPAC5-methyl-N-(4-piperidin-1-ylphenyl)-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(N3CCCCC3)cc2)no1
InChIInChI=1S/C16H19N3O2/c1-12-11-15(18-21-12)16(20)17-13-5-7-14(8-6-13)19-9-3-2-4-10-19/h5-8,11H,2-4,9-10H2,1H3,(H,17,20)
InChIKeyDQPBKOXZSWEHJY-UHFFFAOYSA-N
MW285.35 g/mol
LogP3.23
Rot. Bonds3

About 5-methyl-N-(4-piperidin-1-ylphenyl)-1,2-oxazole-3-carboxamide

5-methyl-N-(4-piperidin-1-ylphenyl)-1,2-oxazole-3-carboxamide (PubChem CID 2814205) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 5-methyl-N-(4-piperidin-1-ylphenyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(4-piperidin-1-ylphenyl)-1,2-oxazole-3-carboxamide
PubChem CID2814205
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name5-methyl-N-(4-piperidin-1-ylphenyl)-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(N3CCCCC3)cc2)no1
InChIInChI=1S/C16H19N3O2/c1-12-11-15(18-21-12)16(20)17-13-5-7-14(8-6-13)19-9-3-2-4-10-19/h5-8,11H,2-4,9-10H2,1H3,(H,17,20)
InChIKeyDQPBKOXZSWEHJY-UHFFFAOYSA-N
XLogP3.23
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 5-methyl-N-(4-piperidin-1-ylphenyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-methyl-N-(4-piperidin-1-ylphenyl)-1,2-oxazole-3-carboxamide (CID 2814205) is 5-methyl-N-(4-piperidin-1-ylphenyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-methyl-N-(4-piperidin-1-ylphenyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-methyl-N-(4-piperidin-1-ylphenyl)-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)Nc2ccc(N3CCCCC3)cc2)no1.
What is the InChIKey of 5-methyl-N-(4-piperidin-1-ylphenyl)-1,2-oxazole-3-carboxamide?
The InChIKey is DQPBKOXZSWEHJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-12-11-15(18-21-12)16(20)17-13-5-7-14(8-6-13)19-9-3-2-4-10-19/h5-8,11H,2-4,9-10H2,1H3,(H,17,20).
What are the key properties of 5-methyl-N-(4-piperidin-1-ylphenyl)-1,2-oxazole-3-carboxamide?
5-methyl-N-(4-piperidin-1-ylphenyl)-1,2-oxazole-3-carboxamide has a molecular weight of 285.35 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(4-piperidin-1-ylphenyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 2814205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).