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

C6H7NO3 — CID 162341476

IUPAC2-(3-methoxy-1,2-oxazol-5-yl)acetaldehyde
SMILESCOc1cc(CC=O)on1
InChIInChI=1S/C6H7NO3/c1-9-6-4-5(2-3-8)10-7-6/h3-4H,2H2,1H3
InChIKeyPIBASUCOMHWFCH-UHFFFAOYSA-N
MW141.13 g/mol
LogP0.42
Rot. Bonds3

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

2-(3-methoxy-1,2-oxazol-5-yl)acetaldehyde (PubChem CID 162341476) has the molecular formula C6H7NO3 and a molecular weight of 141.13 g/mol. Its IUPAC name is 2-(3-methoxy-1,2-oxazol-5-yl)acetaldehyde.

Molecular Properties

Compound Name2-(3-methoxy-1,2-oxazol-5-yl)acetaldehyde
PubChem CID162341476
Molecular FormulaC6H7NO3
Molecular Weight141.13 g/mol
Exact Mass141.04
IUPAC Name2-(3-methoxy-1,2-oxazol-5-yl)acetaldehyde
SMILESCOc1cc(CC=O)on1
InChIInChI=1S/C6H7NO3/c1-9-6-4-5(2-3-8)10-7-6/h3-4H,2H2,1H3
InChIKeyPIBASUCOMHWFCH-UHFFFAOYSA-N
XLogP0.42
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.13
LogP ≤ 50.42
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 2-(3-methoxy-1,2-oxazol-5-yl)acetaldehyde?
The IUPAC name of 2-(3-methoxy-1,2-oxazol-5-yl)acetaldehyde (CID 162341476) is 2-(3-methoxy-1,2-oxazol-5-yl)acetaldehyde.
What is the SMILES notation for 2-(3-methoxy-1,2-oxazol-5-yl)acetaldehyde?
The canonical SMILES for 2-(3-methoxy-1,2-oxazol-5-yl)acetaldehyde is COc1cc(CC=O)on1.
What is the InChIKey of 2-(3-methoxy-1,2-oxazol-5-yl)acetaldehyde?
The InChIKey is PIBASUCOMHWFCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO3/c1-9-6-4-5(2-3-8)10-7-6/h3-4H,2H2,1H3.
What are the key properties of 2-(3-methoxy-1,2-oxazol-5-yl)acetaldehyde?
2-(3-methoxy-1,2-oxazol-5-yl)acetaldehyde has a molecular weight of 141.13 g/mol, XLogP of 0.42, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-1,2-oxazol-5-yl)acetaldehyde is sourced from PubChem (CID 162341476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).