1-[[5-(3-methylphenyl)-1,2-oxazol-4-yl]methyl]piperidine-4-carboxamide

C17H21N3O2 — CID 53193488

IUPAC1-[[5-(3-methylphenyl)-1,2-oxazol-4-yl]methyl]piperidine-4-carboxamide
SMILESCc1cccc(-c2oncc2CN2CCC(C(N)=O)CC2)c1
InChIInChI=1S/C17H21N3O2/c1-12-3-2-4-14(9-12)16-15(10-19-22-16)11-20-7-5-13(6-8-20)17(18)21/h2-4,9-10,13H,5-8,11H2,1H3,(H2,18,21)
InChIKeyPGQIFDWZTNHWLE-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.35
Rot. Bonds4

About 1-[[5-(3-methylphenyl)-1,2-oxazol-4-yl]methyl]piperidine-4-carboxamide

1-[[5-(3-methylphenyl)-1,2-oxazol-4-yl]methyl]piperidine-4-carboxamide (PubChem CID 53193488) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 1-[[5-(3-methylphenyl)-1,2-oxazol-4-yl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[[5-(3-methylphenyl)-1,2-oxazol-4-yl]methyl]piperidine-4-carboxamide
PubChem CID53193488
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name1-[[5-(3-methylphenyl)-1,2-oxazol-4-yl]methyl]piperidine-4-carboxamide
SMILESCc1cccc(-c2oncc2CN2CCC(C(N)=O)CC2)c1
InChIInChI=1S/C17H21N3O2/c1-12-3-2-4-14(9-12)16-15(10-19-22-16)11-20-7-5-13(6-8-20)17(18)21/h2-4,9-10,13H,5-8,11H2,1H3,(H2,18,21)
InChIKeyPGQIFDWZTNHWLE-UHFFFAOYSA-N
XLogP2.35
TPSA72.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[5-(3-methylphenyl)-1,2-oxazol-4-yl]methyl]piperidine-4-carboxamide?
The IUPAC name of 1-[[5-(3-methylphenyl)-1,2-oxazol-4-yl]methyl]piperidine-4-carboxamide (CID 53193488) is 1-[[5-(3-methylphenyl)-1,2-oxazol-4-yl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[[5-(3-methylphenyl)-1,2-oxazol-4-yl]methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[[5-(3-methylphenyl)-1,2-oxazol-4-yl]methyl]piperidine-4-carboxamide is Cc1cccc(-c2oncc2CN2CCC(C(N)=O)CC2)c1.
What is the InChIKey of 1-[[5-(3-methylphenyl)-1,2-oxazol-4-yl]methyl]piperidine-4-carboxamide?
The InChIKey is PGQIFDWZTNHWLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-12-3-2-4-14(9-12)16-15(10-19-22-16)11-20-7-5-13(6-8-20)17(18)21/h2-4,9-10,13H,5-8,11H2,1H3,(H2,18,21).
What are the key properties of 1-[[5-(3-methylphenyl)-1,2-oxazol-4-yl]methyl]piperidine-4-carboxamide?
1-[[5-(3-methylphenyl)-1,2-oxazol-4-yl]methyl]piperidine-4-carboxamide has a molecular weight of 299.37 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(3-methylphenyl)-1,2-oxazol-4-yl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 53193488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).