5-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,2-oxazole-4-carbaldehyde

C9H8N2O3 — CID 96624372

IUPAC5-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,2-oxazole-4-carbaldehyde
SMILESCc1cc(Cc2oncc2C=O)no1
InChIInChI=1S/C9H8N2O3/c1-6-2-8(11-13-6)3-9-7(5-12)4-10-14-9/h2,4-5H,3H2,1H3
InChIKeyFMTNOGXYOSLCIL-UHFFFAOYSA-N
MW192.17 g/mol
LogP1.37
Rot. Bonds3

About 5-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,2-oxazole-4-carbaldehyde

5-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,2-oxazole-4-carbaldehyde (PubChem CID 96624372) has the molecular formula C9H8N2O3 and a molecular weight of 192.17 g/mol. Its IUPAC name is 5-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,2-oxazole-4-carbaldehyde.

Molecular Properties

Compound Name5-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,2-oxazole-4-carbaldehyde
PubChem CID96624372
Molecular FormulaC9H8N2O3
Molecular Weight192.17 g/mol
Exact Mass192.05
IUPAC Name5-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,2-oxazole-4-carbaldehyde
SMILESCc1cc(Cc2oncc2C=O)no1
InChIInChI=1S/C9H8N2O3/c1-6-2-8(11-13-6)3-9-7(5-12)4-10-14-9/h2,4-5H,3H2,1H3
InChIKeyFMTNOGXYOSLCIL-UHFFFAOYSA-N
XLogP1.37
TPSA69.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.17
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,2-oxazole-4-carbaldehyde?
The IUPAC name of 5-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,2-oxazole-4-carbaldehyde (CID 96624372) is 5-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,2-oxazole-4-carbaldehyde.
What is the SMILES notation for 5-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,2-oxazole-4-carbaldehyde?
The canonical SMILES for 5-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,2-oxazole-4-carbaldehyde is Cc1cc(Cc2oncc2C=O)no1.
What is the InChIKey of 5-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,2-oxazole-4-carbaldehyde?
The InChIKey is FMTNOGXYOSLCIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O3/c1-6-2-8(11-13-6)3-9-7(5-12)4-10-14-9/h2,4-5H,3H2,1H3.
What are the key properties of 5-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,2-oxazole-4-carbaldehyde?
5-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,2-oxazole-4-carbaldehyde has a molecular weight of 192.17 g/mol, XLogP of 1.37, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,2-oxazole-4-carbaldehyde is sourced from PubChem (CID 96624372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).