3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;4-propan-2-ylthiadiazole

C23H35N5O3S — CID 160581370

About 3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;4-propan-2-ylthiadiazole

3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;4-propan-2-ylthiadiazole (PubChem CID 160581370) has the molecular formula C23H35N5O3S and a molecular weight of 461.63 g/mol. Its IUPAC name is 3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;4-propan-2-ylthiadiazole.

Molecular Properties

• Compound Name: 3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;4-propan-2-ylthiadiazole
• PubChem CID: 160581370
• Molecular Formula: C23H35N5O3S
• Molecular Weight: 461.63 g/mol
• Exact Mass: 461.25
• IUPAC Name: 3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;4-propan-2-ylthiadiazole
• SMILES: CC(C)c1ccno1.CC(C)c1ccon1.CC(C)c1cocn1.CC(C)c1csnn1
• InChI: InChI=1S/3C6H9NO.C5H8N2S/c1-5(2)6-3-8-4-7-6;1-5(2)6-3-4-8-7-6;1-5(2)6-3-4-7-8-6;1-4(2)5-3-8-7-6-5/h3*3-5H,1-2H3;3-4H,1-2H3
• InChIKey: RBVDNXGRBLTEBZ-UHFFFAOYSA-N
• XLogP: 7.06
• TPSA: 103.87 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	461.63
LogP ≤ 5	7.06
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;4-propan-2-ylthiadiazole?

The IUPAC name of 3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;4-propan-2-ylthiadiazole (CID 160581370) is 3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;4-propan-2-ylthiadiazole.

What is the SMILES notation for 3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;4-propan-2-ylthiadiazole?

The canonical SMILES for 3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;4-propan-2-ylthiadiazole is CC(C)c1ccno1.CC(C)c1ccon1.CC(C)c1cocn1.CC(C)c1csnn1.

What is the InChIKey of 3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;4-propan-2-ylthiadiazole?

The InChIKey is RBVDNXGRBLTEBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/3C6H9NO.C5H8N2S/c1-5(2)6-3-8-4-7-6;1-5(2)6-3-4-8-7-6;1-5(2)6-3-4-7-8-6;1-4(2)5-3-8-7-6-5/h3*3-5H,1-2H3;3-4H,1-2H3.

What are the key properties of 3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;4-propan-2-ylthiadiazole?

3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;4-propan-2-ylthiadiazole has a molecular weight of 461.63 g/mol, XLogP of 7.06, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;4-propan-2-ylthiadiazole is sourced from PubChem (CID 160581370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).