4,4-dimethyl-2-(1,2-oxazol-4-yl)-5H-1,3-oxazole

C8H10N2O2 — CID 45099307

IUPAC4,4-dimethyl-2-(1,2-oxazol-4-yl)-5H-1,3-oxazole
SMILESCC1(C)COC(c2cnoc2)=N1
InChIInChI=1S/C8H10N2O2/c1-8(2)5-11-7(10-8)6-3-9-12-4-6/h3-4H,5H2,1-2H3
InChIKeySWUAHLDSKXDQGJ-UHFFFAOYSA-N
MW166.18 g/mol
LogP1.23
Rot. Bonds1

About 4,4-dimethyl-2-(1,2-oxazol-4-yl)-5H-1,3-oxazole

4,4-dimethyl-2-(1,2-oxazol-4-yl)-5H-1,3-oxazole (PubChem CID 45099307) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is 4,4-dimethyl-2-(1,2-oxazol-4-yl)-5H-1,3-oxazole.

Molecular Properties

Compound Name4,4-dimethyl-2-(1,2-oxazol-4-yl)-5H-1,3-oxazole
PubChem CID45099307
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Name4,4-dimethyl-2-(1,2-oxazol-4-yl)-5H-1,3-oxazole
SMILESCC1(C)COC(c2cnoc2)=N1
InChIInChI=1S/C8H10N2O2/c1-8(2)5-11-7(10-8)6-3-9-12-4-6/h3-4H,5H2,1-2H3
InChIKeySWUAHLDSKXDQGJ-UHFFFAOYSA-N
XLogP1.23
TPSA47.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2-(1,2-oxazol-4-yl)-5H-1,3-oxazole?
The IUPAC name of 4,4-dimethyl-2-(1,2-oxazol-4-yl)-5H-1,3-oxazole (CID 45099307) is 4,4-dimethyl-2-(1,2-oxazol-4-yl)-5H-1,3-oxazole.
What is the SMILES notation for 4,4-dimethyl-2-(1,2-oxazol-4-yl)-5H-1,3-oxazole?
The canonical SMILES for 4,4-dimethyl-2-(1,2-oxazol-4-yl)-5H-1,3-oxazole is CC1(C)COC(c2cnoc2)=N1.
What is the InChIKey of 4,4-dimethyl-2-(1,2-oxazol-4-yl)-5H-1,3-oxazole?
The InChIKey is SWUAHLDSKXDQGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2/c1-8(2)5-11-7(10-8)6-3-9-12-4-6/h3-4H,5H2,1-2H3.
What are the key properties of 4,4-dimethyl-2-(1,2-oxazol-4-yl)-5H-1,3-oxazole?
4,4-dimethyl-2-(1,2-oxazol-4-yl)-5H-1,3-oxazole has a molecular weight of 166.18 g/mol, XLogP of 1.23, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2-(1,2-oxazol-4-yl)-5H-1,3-oxazole is sourced from PubChem (CID 45099307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).