3-methyl-5-[1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrrolidin-2-yl]-1,2-oxazole

C12H16N4OS — CID 118788668

About 3-methyl-5-[1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrrolidin-2-yl]-1,2-oxazole

3-methyl-5-[1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrrolidin-2-yl]-1,2-oxazole (PubChem CID 118788668) has the molecular formula C12H16N4OS and a molecular weight of 264.35 g/mol. Its IUPAC name is 3-methyl-5-[1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrrolidin-2-yl]-1,2-oxazole.

Molecular Properties

• Compound Name: 3-methyl-5-[1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrrolidin-2-yl]-1,2-oxazole
• PubChem CID: 118788668
• Molecular Formula: C12H16N4OS
• Molecular Weight: 264.35 g/mol
• Exact Mass: 264.10
• IUPAC Name: 3-methyl-5-[1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrrolidin-2-yl]-1,2-oxazole
• SMILES: Cc1cc(C2CCCN2Cc2nnc(C)s2)on1
• InChI: InChI=1S/C12H16N4OS/c1-8-6-11(17-15-8)10-4-3-5-16(10)7-12-14-13-9(2)18-12/h6,10H,3-5,7H2,1-2H3
• InChIKey: CNEJOCZQSBPKOR-UHFFFAOYSA-N
• XLogP: 2.48
• TPSA: 55.05 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 18
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	264.35
LogP ≤ 5	2.48
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrrolidin-2-yl]-1,2-oxazole?

The IUPAC name of 3-methyl-5-[1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrrolidin-2-yl]-1,2-oxazole (CID 118788668) is 3-methyl-5-[1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrrolidin-2-yl]-1,2-oxazole.

What is the SMILES notation for 3-methyl-5-[1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrrolidin-2-yl]-1,2-oxazole?

The canonical SMILES for 3-methyl-5-[1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrrolidin-2-yl]-1,2-oxazole is Cc1cc(C2CCCN2Cc2nnc(C)s2)on1.

What is the InChIKey of 3-methyl-5-[1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrrolidin-2-yl]-1,2-oxazole?

The InChIKey is CNEJOCZQSBPKOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4OS/c1-8-6-11(17-15-8)10-4-3-5-16(10)7-12-14-13-9(2)18-12/h6,10H,3-5,7H2,1-2H3.

What are the key properties of 3-methyl-5-[1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrrolidin-2-yl]-1,2-oxazole?

3-methyl-5-[1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrrolidin-2-yl]-1,2-oxazole has a molecular weight of 264.35 g/mol, XLogP of 2.48, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methyl-5-[1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrrolidin-2-yl]-1,2-oxazole is sourced from PubChem (CID 118788668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).