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

C5H9NO — CID 10975416

IUPAC5,5-dimethyl-4H-1,3-oxazole
SMILESCC1(C)CN=CO1
InChIInChI=1S/C5H9NO/c1-5(2)3-6-4-7-5/h4H,3H2,1-2H3
InChIKeyFYYZRSPQUGJFBF-UHFFFAOYSA-N
MW99.13 g/mol
LogP0.82
Rot. Bonds

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

5,5-dimethyl-4H-1,3-oxazole (PubChem CID 10975416) has the molecular formula C5H9NO and a molecular weight of 99.13 g/mol. Its IUPAC name is 5,5-dimethyl-4H-1,3-oxazole.

Molecular Properties

Compound Name5,5-dimethyl-4H-1,3-oxazole
PubChem CID10975416
Molecular FormulaC5H9NO
Molecular Weight99.13 g/mol
Exact Mass99.07
IUPAC Name5,5-dimethyl-4H-1,3-oxazole
SMILESCC1(C)CN=CO1
InChIInChI=1S/C5H9NO/c1-5(2)3-6-4-7-5/h4H,3H2,1-2H3
InChIKeyFYYZRSPQUGJFBF-UHFFFAOYSA-N
XLogP0.82
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.13
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-4H-1,3-oxazole?
The IUPAC name of 5,5-dimethyl-4H-1,3-oxazole (CID 10975416) is 5,5-dimethyl-4H-1,3-oxazole.
What is the SMILES notation for 5,5-dimethyl-4H-1,3-oxazole?
The canonical SMILES for 5,5-dimethyl-4H-1,3-oxazole is CC1(C)CN=CO1.
What is the InChIKey of 5,5-dimethyl-4H-1,3-oxazole?
The InChIKey is FYYZRSPQUGJFBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO/c1-5(2)3-6-4-7-5/h4H,3H2,1-2H3.
What are the key properties of 5,5-dimethyl-4H-1,3-oxazole?
5,5-dimethyl-4H-1,3-oxazole has a molecular weight of 99.13 g/mol, XLogP of 0.82, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-4H-1,3-oxazole is sourced from PubChem (CID 10975416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).