4,5-dimethyl-1,3-oxazole

C5H7NO — CID 30214

IUPAC4,5-dimethyl-1,3-oxazole
SMILESCc1ncoc1C
InChIInChI=1S/C5H7NO/c1-4-5(2)7-3-6-4/h3H,1-2H3
InChIKeyYVORRVFKHZLJGZ-UHFFFAOYSA-N
MW97.12 g/mol
LogP1.29
Rot. Bonds

About 4,5-dimethyl-1,3-oxazole

4,5-dimethyl-1,3-oxazole (PubChem CID 30214) has the molecular formula C5H7NO and a molecular weight of 97.12 g/mol. Its IUPAC name is 4,5-dimethyl-1,3-oxazole.

Molecular Properties

Compound Name4,5-dimethyl-1,3-oxazole
PubChem CID30214
Molecular FormulaC5H7NO
Molecular Weight97.12 g/mol
Exact Mass97.05
IUPAC Name4,5-dimethyl-1,3-oxazole
SMILESCc1ncoc1C
InChIInChI=1S/C5H7NO/c1-4-5(2)7-3-6-4/h3H,1-2H3
InChIKeyYVORRVFKHZLJGZ-UHFFFAOYSA-N
XLogP1.29
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.12
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-1,3-oxazole?
The IUPAC name of 4,5-dimethyl-1,3-oxazole (CID 30214) is 4,5-dimethyl-1,3-oxazole.
What is the SMILES notation for 4,5-dimethyl-1,3-oxazole?
The canonical SMILES for 4,5-dimethyl-1,3-oxazole is Cc1ncoc1C.
What is the InChIKey of 4,5-dimethyl-1,3-oxazole?
The InChIKey is YVORRVFKHZLJGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO/c1-4-5(2)7-3-6-4/h3H,1-2H3.
What are the key properties of 4,5-dimethyl-1,3-oxazole?
4,5-dimethyl-1,3-oxazole has a molecular weight of 97.12 g/mol, XLogP of 1.29, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-1,3-oxazole is sourced from PubChem (CID 30214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).