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

C7H9N3OS — CID 90256022

IUPAC4,4-dimethyl-2-(1,2,4-thiadiazol-5-yl)-5H-1,3-oxazole
SMILESCC1(C)COC(c2ncns2)=N1
InChIInChI=1S/C7H9N3OS/c1-7(2)3-11-5(10-7)6-8-4-9-12-6/h4H,3H2,1-2H3
InChIKeyYFUDDUKPOQQMJF-UHFFFAOYSA-N
MW183.24 g/mol
LogP1.09
Rot. Bonds1

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

4,4-dimethyl-2-(1,2,4-thiadiazol-5-yl)-5H-1,3-oxazole (PubChem CID 90256022) has the molecular formula C7H9N3OS and a molecular weight of 183.24 g/mol. Its IUPAC name is 4,4-dimethyl-2-(1,2,4-thiadiazol-5-yl)-5H-1,3-oxazole.

Molecular Properties

Compound Name4,4-dimethyl-2-(1,2,4-thiadiazol-5-yl)-5H-1,3-oxazole
PubChem CID90256022
Molecular FormulaC7H9N3OS
Molecular Weight183.24 g/mol
Exact Mass183.05
IUPAC Name4,4-dimethyl-2-(1,2,4-thiadiazol-5-yl)-5H-1,3-oxazole
SMILESCC1(C)COC(c2ncns2)=N1
InChIInChI=1S/C7H9N3OS/c1-7(2)3-11-5(10-7)6-8-4-9-12-6/h4H,3H2,1-2H3
InChIKeyYFUDDUKPOQQMJF-UHFFFAOYSA-N
XLogP1.09
TPSA47.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.24
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2-(1,2,4-thiadiazol-5-yl)-5H-1,3-oxazole?
The IUPAC name of 4,4-dimethyl-2-(1,2,4-thiadiazol-5-yl)-5H-1,3-oxazole (CID 90256022) is 4,4-dimethyl-2-(1,2,4-thiadiazol-5-yl)-5H-1,3-oxazole.
What is the SMILES notation for 4,4-dimethyl-2-(1,2,4-thiadiazol-5-yl)-5H-1,3-oxazole?
The canonical SMILES for 4,4-dimethyl-2-(1,2,4-thiadiazol-5-yl)-5H-1,3-oxazole is CC1(C)COC(c2ncns2)=N1.
What is the InChIKey of 4,4-dimethyl-2-(1,2,4-thiadiazol-5-yl)-5H-1,3-oxazole?
The InChIKey is YFUDDUKPOQQMJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3OS/c1-7(2)3-11-5(10-7)6-8-4-9-12-6/h4H,3H2,1-2H3.
What are the key properties of 4,4-dimethyl-2-(1,2,4-thiadiazol-5-yl)-5H-1,3-oxazole?
4,4-dimethyl-2-(1,2,4-thiadiazol-5-yl)-5H-1,3-oxazole has a molecular weight of 183.24 g/mol, XLogP of 1.09, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2-(1,2,4-thiadiazol-5-yl)-5H-1,3-oxazole is sourced from PubChem (CID 90256022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).