5-methyl-1,3-oxazole-2-carbaldehyde

C5H5NO2 — CID 22081030

IUPAC5-methyl-1,3-oxazole-2-carbaldehyde
SMILESCc1cnc(C=O)o1
InChIInChI=1S/C5H5NO2/c1-4-2-6-5(3-7)8-4/h2-3H,1H3
InChIKeyCLRKQIWCZIKAAO-UHFFFAOYSA-N
MW111.10 g/mol
LogP0.80
Rot. Bonds1

About 5-methyl-1,3-oxazole-2-carbaldehyde

5-methyl-1,3-oxazole-2-carbaldehyde (PubChem CID 22081030) has the molecular formula C5H5NO2 and a molecular weight of 111.10 g/mol. Its IUPAC name is 5-methyl-1,3-oxazole-2-carbaldehyde.

Molecular Properties

Compound Name5-methyl-1,3-oxazole-2-carbaldehyde
PubChem CID22081030
Molecular FormulaC5H5NO2
Molecular Weight111.10 g/mol
Exact Mass111.03
IUPAC Name5-methyl-1,3-oxazole-2-carbaldehyde
SMILESCc1cnc(C=O)o1
InChIInChI=1S/C5H5NO2/c1-4-2-6-5(3-7)8-4/h2-3H,1H3
InChIKeyCLRKQIWCZIKAAO-UHFFFAOYSA-N
XLogP0.80
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.10
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,5-Dimethyloxazole
CID 89961
1-(1,3-Oxazol-2-yl)ethan-1-one
CID 19782729
5-Ethyl-2-methyloxazole
CID 528407
2-Ethyl-5-methyloxazole
CID 528403
5-Methyl-2-propyloxazole
CID 529034
5-Oxazolecarboxaldehyde
CID 11829372
1-(1,3-Oxazol-2-yl)propan-1-one
CID 16744375
Ethyl 5-methyl-1,3-oxazole-2-carboxylate
CID 22099282
2-Tert-butyl-1,3-oxazole-5-carbaldehyde
CID 53403823
5-Methyloxazole
CID 528411
2,2,2-Trifluoro-1-(5-methyl-1,3-oxazol-2-yl)ethan-1-one
CID 137965662
2,2,2-Trifluoro-1-(5-methyl-1,3-oxazol-2-yl)ethan-1-ol
CID 138007654

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1,3-oxazole-2-carbaldehyde?
The IUPAC name of 5-methyl-1,3-oxazole-2-carbaldehyde (CID 22081030) is 5-methyl-1,3-oxazole-2-carbaldehyde.
What is the SMILES notation for 5-methyl-1,3-oxazole-2-carbaldehyde?
The canonical SMILES for 5-methyl-1,3-oxazole-2-carbaldehyde is Cc1cnc(C=O)o1.
What is the InChIKey of 5-methyl-1,3-oxazole-2-carbaldehyde?
The InChIKey is CLRKQIWCZIKAAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5NO2/c1-4-2-6-5(3-7)8-4/h2-3H,1H3.
What are the key properties of 5-methyl-1,3-oxazole-2-carbaldehyde?
5-methyl-1,3-oxazole-2-carbaldehyde has a molecular weight of 111.10 g/mol, XLogP of 0.80, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1,3-oxazole-2-carbaldehyde is sourced from PubChem (CID 22081030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).