5-(1-methylpiperidin-4-yl)-1,2-oxazole-4-carbaldehyde

C10H14N2O2 — CID 115093357

IUPAC5-(1-methylpiperidin-4-yl)-1,2-oxazole-4-carbaldehyde
SMILESCN1CCC(c2oncc2C=O)CC1
InChIInChI=1S/C10H14N2O2/c1-12-4-2-8(3-5-12)10-9(7-13)6-11-14-10/h6-8H,2-5H2,1H3
InChIKeyDNARZAACIPRNNK-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.30
Rot. Bonds2

About 5-(1-methylpiperidin-4-yl)-1,2-oxazole-4-carbaldehyde

5-(1-methylpiperidin-4-yl)-1,2-oxazole-4-carbaldehyde (PubChem CID 115093357) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 5-(1-methylpiperidin-4-yl)-1,2-oxazole-4-carbaldehyde.

Molecular Properties

Compound Name5-(1-methylpiperidin-4-yl)-1,2-oxazole-4-carbaldehyde
PubChem CID115093357
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name5-(1-methylpiperidin-4-yl)-1,2-oxazole-4-carbaldehyde
SMILESCN1CCC(c2oncc2C=O)CC1
InChIInChI=1S/C10H14N2O2/c1-12-4-2-8(3-5-12)10-9(7-13)6-11-14-10/h6-8H,2-5H2,1H3
InChIKeyDNARZAACIPRNNK-UHFFFAOYSA-N
XLogP1.30
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.30
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 5-(1-methylpiperidin-4-yl)-1,2-oxazole-4-carbaldehyde?
The IUPAC name of 5-(1-methylpiperidin-4-yl)-1,2-oxazole-4-carbaldehyde (CID 115093357) is 5-(1-methylpiperidin-4-yl)-1,2-oxazole-4-carbaldehyde.
What is the SMILES notation for 5-(1-methylpiperidin-4-yl)-1,2-oxazole-4-carbaldehyde?
The canonical SMILES for 5-(1-methylpiperidin-4-yl)-1,2-oxazole-4-carbaldehyde is CN1CCC(c2oncc2C=O)CC1.
What is the InChIKey of 5-(1-methylpiperidin-4-yl)-1,2-oxazole-4-carbaldehyde?
The InChIKey is DNARZAACIPRNNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-12-4-2-8(3-5-12)10-9(7-13)6-11-14-10/h6-8H,2-5H2,1H3.
What are the key properties of 5-(1-methylpiperidin-4-yl)-1,2-oxazole-4-carbaldehyde?
5-(1-methylpiperidin-4-yl)-1,2-oxazole-4-carbaldehyde has a molecular weight of 194.23 g/mol, XLogP of 1.30, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methylpiperidin-4-yl)-1,2-oxazole-4-carbaldehyde is sourced from PubChem (CID 115093357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).