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

C16H19N3O2 — CID 53193466

IUPAC1-[(5-phenyl-1,2-oxazol-4-yl)methyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(Cc2cnoc2-c2ccccc2)CC1
InChIInChI=1S/C16H19N3O2/c17-16(20)13-6-8-19(9-7-13)11-14-10-18-21-15(14)12-4-2-1-3-5-12/h1-5,10,13H,6-9,11H2,(H2,17,20)
InChIKeyJSTPNEVPSFBUGD-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.04
Rot. Bonds4

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

1-[(5-phenyl-1,2-oxazol-4-yl)methyl]piperidine-4-carboxamide (PubChem CID 53193466) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 1-[(5-phenyl-1,2-oxazol-4-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(5-phenyl-1,2-oxazol-4-yl)methyl]piperidine-4-carboxamide
PubChem CID53193466
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name1-[(5-phenyl-1,2-oxazol-4-yl)methyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(Cc2cnoc2-c2ccccc2)CC1
InChIInChI=1S/C16H19N3O2/c17-16(20)13-6-8-19(9-7-13)11-14-10-18-21-15(14)12-4-2-1-3-5-12/h1-5,10,13H,6-9,11H2,(H2,17,20)
InChIKeyJSTPNEVPSFBUGD-UHFFFAOYSA-N
XLogP2.04
TPSA72.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-phenyl-1,2-oxazol-4-yl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-[(5-phenyl-1,2-oxazol-4-yl)methyl]piperidine-4-carboxamide (CID 53193466) is 1-[(5-phenyl-1,2-oxazol-4-yl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(5-phenyl-1,2-oxazol-4-yl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(5-phenyl-1,2-oxazol-4-yl)methyl]piperidine-4-carboxamide is NC(=O)C1CCN(Cc2cnoc2-c2ccccc2)CC1.
What is the InChIKey of 1-[(5-phenyl-1,2-oxazol-4-yl)methyl]piperidine-4-carboxamide?
The InChIKey is JSTPNEVPSFBUGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c17-16(20)13-6-8-19(9-7-13)11-14-10-18-21-15(14)12-4-2-1-3-5-12/h1-5,10,13H,6-9,11H2,(H2,17,20).
What are the key properties of 1-[(5-phenyl-1,2-oxazol-4-yl)methyl]piperidine-4-carboxamide?
1-[(5-phenyl-1,2-oxazol-4-yl)methyl]piperidine-4-carboxamide has a molecular weight of 285.35 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-phenyl-1,2-oxazol-4-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 53193466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).