5-(piperidin-4-ylmethyl)-1,2-oxazole-4-carbaldehyde

C10H14N2O2 — CID 115093438

IUPAC5-(piperidin-4-ylmethyl)-1,2-oxazole-4-carbaldehyde
SMILESO=Cc1cnoc1CC1CCNCC1
InChIInChI=1S/C10H14N2O2/c13-7-9-6-12-14-10(9)5-8-1-3-11-4-2-8/h6-8,11H,1-5H2
InChIKeySBUACQANAVRTJR-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.03
Rot. Bonds3

About 5-(piperidin-4-ylmethyl)-1,2-oxazole-4-carbaldehyde

5-(piperidin-4-ylmethyl)-1,2-oxazole-4-carbaldehyde (PubChem CID 115093438) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 5-(piperidin-4-ylmethyl)-1,2-oxazole-4-carbaldehyde.

Molecular Properties

Compound Name5-(piperidin-4-ylmethyl)-1,2-oxazole-4-carbaldehyde
PubChem CID115093438
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name5-(piperidin-4-ylmethyl)-1,2-oxazole-4-carbaldehyde
SMILESO=Cc1cnoc1CC1CCNCC1
InChIInChI=1S/C10H14N2O2/c13-7-9-6-12-14-10(9)5-8-1-3-11-4-2-8/h6-8,11H,1-5H2
InChIKeySBUACQANAVRTJR-UHFFFAOYSA-N
XLogP1.03
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(3-chlorophenyl)-5-(piperidin-4-ylmethyl)-1,2-oxazole
CID 115053994
2-[2-(piperidin-4-ylmethyl)-1,3-thiazol-5-yl]acetaldehyde
CID 115090212
4-hydroxy-2-(piperidin-4-ylmethyl)benzaldehyde
CID 117312812
4-phenyl-5-(pyrrolidin-3-ylmethyl)-1,2-oxazole
CID 115036737
2-(pyrrolidin-3-ylmethyl)-1,3-oxazole-5-carbaldehyde
CID 115085208
5-pyrrolidin-2-yl-1,2-oxazole-4-carbaldehyde
CID 115093494
1-[5-(piperidin-4-ylmethyl)-1,2-oxazol-3-yl]ethanone
CID 115093984
3-cyclopropyl-5-(piperidin-4-ylmethyl)-1,2-oxazole
CID 83848363
2,3-dimethoxy-5-(piperidin-4-ylmethyl)benzaldehyde
CID 117413198
5-cyclohexyl-1,2-oxazole-4-carbaldehyde
CID 82409621
4-(3-fluorophenyl)-5-(pyrrolidin-3-ylmethyl)-1,2-oxazole
CID 115054030
5-[[piperidin-4-yl(propyl)amino]methyl]-1,2-oxazole-4-carboxylic acid
CID 112753453

Frequently Asked Questions

What is the IUPAC name of 5-(piperidin-4-ylmethyl)-1,2-oxazole-4-carbaldehyde?
The IUPAC name of 5-(piperidin-4-ylmethyl)-1,2-oxazole-4-carbaldehyde (CID 115093438) is 5-(piperidin-4-ylmethyl)-1,2-oxazole-4-carbaldehyde.
What is the SMILES notation for 5-(piperidin-4-ylmethyl)-1,2-oxazole-4-carbaldehyde?
The canonical SMILES for 5-(piperidin-4-ylmethyl)-1,2-oxazole-4-carbaldehyde is O=Cc1cnoc1CC1CCNCC1.
What is the InChIKey of 5-(piperidin-4-ylmethyl)-1,2-oxazole-4-carbaldehyde?
The InChIKey is SBUACQANAVRTJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c13-7-9-6-12-14-10(9)5-8-1-3-11-4-2-8/h6-8,11H,1-5H2.
What are the key properties of 5-(piperidin-4-ylmethyl)-1,2-oxazole-4-carbaldehyde?
5-(piperidin-4-ylmethyl)-1,2-oxazole-4-carbaldehyde has a molecular weight of 194.23 g/mol, XLogP of 1.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(piperidin-4-ylmethyl)-1,2-oxazole-4-carbaldehyde is sourced from PubChem (CID 115093438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).