5-pyrrolidin-2-yl-1,2-oxazole-4-carbaldehyde

C8H10N2O2 — CID 115093494

IUPAC5-pyrrolidin-2-yl-1,2-oxazole-4-carbaldehyde
SMILESO=Cc1cnoc1C1CCCN1
InChIInChI=1S/C8H10N2O2/c11-5-6-4-10-12-8(6)7-2-1-3-9-7/h4-5,7,9H,1-3H2
InChIKeyLTLPJAJPIVECII-UHFFFAOYSA-N
MW166.18 g/mol
LogP0.91
Rot. Bonds2

About 5-pyrrolidin-2-yl-1,2-oxazole-4-carbaldehyde

5-pyrrolidin-2-yl-1,2-oxazole-4-carbaldehyde (PubChem CID 115093494) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is 5-pyrrolidin-2-yl-1,2-oxazole-4-carbaldehyde.

Molecular Properties

Compound Name5-pyrrolidin-2-yl-1,2-oxazole-4-carbaldehyde
PubChem CID115093494
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Name5-pyrrolidin-2-yl-1,2-oxazole-4-carbaldehyde
SMILESO=Cc1cnoc1C1CCCN1
InChIInChI=1S/C8H10N2O2/c11-5-6-4-10-12-8(6)7-2-1-3-9-7/h4-5,7,9H,1-3H2
InChIKeyLTLPJAJPIVECII-UHFFFAOYSA-N
XLogP0.91
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 50.91
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

5-piperidin-2-yl-1,2-oxazol-4-amine
CID 115093519
5-bromo-2-pyrrolidin-2-ylpyridine-3-carbaldehyde
CID 87941628
4-pyrrolidin-2-yl-1,2-oxazol-5-amine
CID 105429881
5-(1-oxothiolan-3-yl)-1,2-oxazole-4-carbaldehyde
CID 83485224
5-(1-methylpiperidin-4-yl)-1,2-oxazole-4-carbaldehyde
CID 115093357
4-(4-methylphenyl)-5-piperidin-2-yl-1,2-oxazole
CID 115003868
4-(3-fluorophenyl)-5-pyrrolidin-2-yl-1,2-oxazole
CID 115038784
5-pyrrolidin-2-ylpyridine-3-carbaldehyde
CID 123459636
3-amino-5-pyrrolidin-2-yl-1,2-oxazole-4-carboxylic acid
CID 105450484
6-[(2R)-pyrrolidin-2-yl]pyridine-2-carbaldehyde
CID 87404647
5-piperidin-2-yl-1,2,4-oxadiazole-3-carbaldehyde
CID 115077969
4-cyclobutyl-5-pyrrolidin-2-yl-1H-pyrazole
CID 115018789

Frequently Asked Questions

What is the IUPAC name of 5-pyrrolidin-2-yl-1,2-oxazole-4-carbaldehyde?
The IUPAC name of 5-pyrrolidin-2-yl-1,2-oxazole-4-carbaldehyde (CID 115093494) is 5-pyrrolidin-2-yl-1,2-oxazole-4-carbaldehyde.
What is the SMILES notation for 5-pyrrolidin-2-yl-1,2-oxazole-4-carbaldehyde?
The canonical SMILES for 5-pyrrolidin-2-yl-1,2-oxazole-4-carbaldehyde is O=Cc1cnoc1C1CCCN1.
What is the InChIKey of 5-pyrrolidin-2-yl-1,2-oxazole-4-carbaldehyde?
The InChIKey is LTLPJAJPIVECII-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2/c11-5-6-4-10-12-8(6)7-2-1-3-9-7/h4-5,7,9H,1-3H2.
What are the key properties of 5-pyrrolidin-2-yl-1,2-oxazole-4-carbaldehyde?
5-pyrrolidin-2-yl-1,2-oxazole-4-carbaldehyde has a molecular weight of 166.18 g/mol, XLogP of 0.91, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyrrolidin-2-yl-1,2-oxazole-4-carbaldehyde is sourced from PubChem (CID 115093494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).