2-(2-pyrrolidin-3-yl-1,3-oxazol-5-yl)acetaldehyde

C9H12N2O2 — CID 115084955

IUPAC2-(2-pyrrolidin-3-yl-1,3-oxazol-5-yl)acetaldehyde
SMILESO=CCc1cnc(C2CCNC2)o1
InChIInChI=1S/C9H12N2O2/c12-4-2-8-6-11-9(13-8)7-1-3-10-5-7/h4,6-7,10H,1-3,5H2
InChIKeyVBNWYVFLMGNANS-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.49
Rot. Bonds3

About 2-(2-pyrrolidin-3-yl-1,3-oxazol-5-yl)acetaldehyde

2-(2-pyrrolidin-3-yl-1,3-oxazol-5-yl)acetaldehyde (PubChem CID 115084955) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 2-(2-pyrrolidin-3-yl-1,3-oxazol-5-yl)acetaldehyde.

Molecular Properties

Compound Name2-(2-pyrrolidin-3-yl-1,3-oxazol-5-yl)acetaldehyde
PubChem CID115084955
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name2-(2-pyrrolidin-3-yl-1,3-oxazol-5-yl)acetaldehyde
SMILESO=CCc1cnc(C2CCNC2)o1
InChIInChI=1S/C9H12N2O2/c12-4-2-8-6-11-9(13-8)7-1-3-10-5-7/h4,6-7,10H,1-3,5H2
InChIKeyVBNWYVFLMGNANS-UHFFFAOYSA-N
XLogP0.49
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.49
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

2-(2-pyrrolidin-3-yl-1,3-oxazol-4-yl)acetaldehyde
CID 115082035
5-cyclohexyl-2-pyrrolidin-3-yl-1,3-oxazole
CID 84685995
2-piperidin-3-yl-1,3-oxazole-5-carbaldehyde
CID 115085525
5-(1-methylcyclopropyl)-2-pyrrolidin-3-yl-1,3-oxazole
CID 115019177
2-(azetidin-3-yl)-5-piperidin-4-yl-1,3-oxazole
CID 115025282
5-[(4-chlorophenyl)methyl]-2-[(3S)-piperidin-3-yl]-1,3-oxazole
CID 97357376
5-(1-methylcyclohexyl)-2-pyrrolidin-3-yl-1,3-oxazole
CID 115040326
2-(2-pyrrolidin-3-yl-1,3-oxazol-5-yl)phenol
CID 84693433
5-pyrrolidin-3-yl-1,2,4-oxadiazole
CID 54573513
5-(3-bromophenyl)-2-pyrrolidin-3-yl-1,3-oxazole
CID 84715623
2-cyclopropyl-5-ethyl-1,3-oxazole
CID 146588546
2-pyrrolidin-3-yl-1,3-thiazole-5-carbaldehyde
CID 115089760

Frequently Asked Questions

What is the IUPAC name of 2-(2-pyrrolidin-3-yl-1,3-oxazol-5-yl)acetaldehyde?
The IUPAC name of 2-(2-pyrrolidin-3-yl-1,3-oxazol-5-yl)acetaldehyde (CID 115084955) is 2-(2-pyrrolidin-3-yl-1,3-oxazol-5-yl)acetaldehyde.
What is the SMILES notation for 2-(2-pyrrolidin-3-yl-1,3-oxazol-5-yl)acetaldehyde?
The canonical SMILES for 2-(2-pyrrolidin-3-yl-1,3-oxazol-5-yl)acetaldehyde is O=CCc1cnc(C2CCNC2)o1.
What is the InChIKey of 2-(2-pyrrolidin-3-yl-1,3-oxazol-5-yl)acetaldehyde?
The InChIKey is VBNWYVFLMGNANS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c12-4-2-8-6-11-9(13-8)7-1-3-10-5-7/h4,6-7,10H,1-3,5H2.
What are the key properties of 2-(2-pyrrolidin-3-yl-1,3-oxazol-5-yl)acetaldehyde?
2-(2-pyrrolidin-3-yl-1,3-oxazol-5-yl)acetaldehyde has a molecular weight of 180.21 g/mol, XLogP of 0.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-pyrrolidin-3-yl-1,3-oxazol-5-yl)acetaldehyde is sourced from PubChem (CID 115084955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).