1-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidine-2-carbaldehyde

C16H18N2O2 — CID 62655523

IUPAC1-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidine-2-carbaldehyde
SMILESO=CC1CCCCN1Cc1cc(-c2ccccc2)on1
InChIInChI=1S/C16H18N2O2/c19-12-15-8-4-5-9-18(15)11-14-10-16(20-17-14)13-6-2-1-3-7-13/h1-3,6-7,10,12,15H,4-5,8-9,11H2
InChIKeyIZSSLHCAVDUNJY-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.89
Rot. Bonds4

About 1-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidine-2-carbaldehyde

1-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidine-2-carbaldehyde (PubChem CID 62655523) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 1-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidine-2-carbaldehyde.

Molecular Properties

Compound Name1-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidine-2-carbaldehyde
PubChem CID62655523
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name1-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidine-2-carbaldehyde
SMILESO=CC1CCCCN1Cc1cc(-c2ccccc2)on1
InChIInChI=1S/C16H18N2O2/c19-12-15-8-4-5-9-18(15)11-14-10-16(20-17-14)13-6-2-1-3-7-13/h1-3,6-7,10,12,15H,4-5,8-9,11H2
InChIKeyIZSSLHCAVDUNJY-UHFFFAOYSA-N
XLogP2.89
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidine-2-carbaldehyde?
The IUPAC name of 1-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidine-2-carbaldehyde (CID 62655523) is 1-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidine-2-carbaldehyde.
What is the SMILES notation for 1-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidine-2-carbaldehyde?
The canonical SMILES for 1-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidine-2-carbaldehyde is O=CC1CCCCN1Cc1cc(-c2ccccc2)on1.
What is the InChIKey of 1-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidine-2-carbaldehyde?
The InChIKey is IZSSLHCAVDUNJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c19-12-15-8-4-5-9-18(15)11-14-10-16(20-17-14)13-6-2-1-3-7-13/h1-3,6-7,10,12,15H,4-5,8-9,11H2.
What are the key properties of 1-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidine-2-carbaldehyde?
1-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidine-2-carbaldehyde has a molecular weight of 270.33 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidine-2-carbaldehyde is sourced from PubChem (CID 62655523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).