2-piperidin-3-yl-1,3-oxazole-5-carbaldehyde

C9H12N2O2 — CID 115085525

IUPAC2-piperidin-3-yl-1,3-oxazole-5-carbaldehyde
SMILESO=Cc1cnc(C2CCCNC2)o1
InChIInChI=1S/C9H12N2O2/c12-6-8-5-11-9(13-8)7-2-1-3-10-4-7/h5-7,10H,1-4H2
InChIKeyYHXOECNSSOAFPD-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.95
Rot. Bonds2

About 2-piperidin-3-yl-1,3-oxazole-5-carbaldehyde

2-piperidin-3-yl-1,3-oxazole-5-carbaldehyde (PubChem CID 115085525) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 2-piperidin-3-yl-1,3-oxazole-5-carbaldehyde.

Molecular Properties

Compound Name2-piperidin-3-yl-1,3-oxazole-5-carbaldehyde
PubChem CID115085525
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name2-piperidin-3-yl-1,3-oxazole-5-carbaldehyde
SMILESO=Cc1cnc(C2CCCNC2)o1
InChIInChI=1S/C9H12N2O2/c12-6-8-5-11-9(13-8)7-2-1-3-10-4-7/h5-7,10H,1-4H2
InChIKeyYHXOECNSSOAFPD-UHFFFAOYSA-N
XLogP0.95
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.95
H-Bond Donors ≤ 51
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 2-piperidin-3-yl-1,3-oxazole-5-carbaldehyde?
The IUPAC name of 2-piperidin-3-yl-1,3-oxazole-5-carbaldehyde (CID 115085525) is 2-piperidin-3-yl-1,3-oxazole-5-carbaldehyde.
What is the SMILES notation for 2-piperidin-3-yl-1,3-oxazole-5-carbaldehyde?
The canonical SMILES for 2-piperidin-3-yl-1,3-oxazole-5-carbaldehyde is O=Cc1cnc(C2CCCNC2)o1.
What is the InChIKey of 2-piperidin-3-yl-1,3-oxazole-5-carbaldehyde?
The InChIKey is YHXOECNSSOAFPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c12-6-8-5-11-9(13-8)7-2-1-3-10-4-7/h5-7,10H,1-4H2.
What are the key properties of 2-piperidin-3-yl-1,3-oxazole-5-carbaldehyde?
2-piperidin-3-yl-1,3-oxazole-5-carbaldehyde has a molecular weight of 180.21 g/mol, XLogP of 0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-3-yl-1,3-oxazole-5-carbaldehyde is sourced from PubChem (CID 115085525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).