3,5-dimethyl-1,2-oxazole

C5H7NO — CID 9312

IUPAC3,5-dimethyl-1,2-oxazole
SMILESCc1cc(C)on1
InChIInChI=1S/C5H7NO/c1-4-3-5(2)7-6-4/h3H,1-2H3
InChIKeyFICAQKBMCKEFDI-UHFFFAOYSA-N
MW97.12 g/mol
LogP1.29
Rot. Bonds

About 3,5-dimethyl-1,2-oxazole

3,5-dimethyl-1,2-oxazole (PubChem CID 9312) has the molecular formula C5H7NO and a molecular weight of 97.12 g/mol. Its IUPAC name is 3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name3,5-dimethyl-1,2-oxazole
PubChem CID9312
Molecular FormulaC5H7NO
Molecular Weight97.12 g/mol
Exact Mass97.05
IUPAC Name3,5-dimethyl-1,2-oxazole
SMILESCc1cc(C)on1
InChIInChI=1S/C5H7NO/c1-4-3-5(2)7-6-4/h3H,1-2H3
InChIKeyFICAQKBMCKEFDI-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 3,5-dimethyl-1,2-oxazole?
The IUPAC name of 3,5-dimethyl-1,2-oxazole (CID 9312) is 3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 3,5-dimethyl-1,2-oxazole is Cc1cc(C)on1.
What is the InChIKey of 3,5-dimethyl-1,2-oxazole?
The InChIKey is FICAQKBMCKEFDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO/c1-4-3-5(2)7-6-4/h3H,1-2H3.
What are the key properties of 3,5-dimethyl-1,2-oxazole?
3,5-dimethyl-1,2-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 3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 9312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).