1-[cyclohexyl-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]amino]propan-2-ol

C16H23N3O2S — CID 111103333

About 1-[cyclohexyl-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]amino]propan-2-ol

1-[cyclohexyl-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]amino]propan-2-ol (PubChem CID 111103333) has the molecular formula C16H23N3O2S and a molecular weight of 321.45 g/mol. Its IUPAC name is 1-[cyclohexyl-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]amino]propan-2-ol.

Molecular Properties

• Compound Name: 1-[cyclohexyl-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]amino]propan-2-ol
• PubChem CID: 111103333
• Molecular Formula: C16H23N3O2S
• Molecular Weight: 321.45 g/mol
• Exact Mass: 321.15
• IUPAC Name: 1-[cyclohexyl-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]amino]propan-2-ol
• SMILES: CC(O)CN(Cc1noc(-c2ccsc2)n1)C1CCCCC1
• InChI: InChI=1S/C16H23N3O2S/c1-12(20)9-19(14-5-3-2-4-6-14)10-15-17-16(21-18-15)13-7-8-22-11-13/h7-8,11-12,14,20H,2-6,9-10H2,1H3
• InChIKey: XBCBFIPAQGACDO-UHFFFAOYSA-N
• XLogP: 3.31
• TPSA: 62.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	321.45
LogP ≤ 5	3.31
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[cyclohexyl-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]amino]propan-2-ol?

The IUPAC name of 1-[cyclohexyl-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]amino]propan-2-ol (CID 111103333) is 1-[cyclohexyl-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]amino]propan-2-ol.

What is the SMILES notation for 1-[cyclohexyl-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]amino]propan-2-ol?

The canonical SMILES for 1-[cyclohexyl-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]amino]propan-2-ol is CC(O)CN(Cc1noc(-c2ccsc2)n1)C1CCCCC1.

What is the InChIKey of 1-[cyclohexyl-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]amino]propan-2-ol?

The InChIKey is XBCBFIPAQGACDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2S/c1-12(20)9-19(14-5-3-2-4-6-14)10-15-17-16(21-18-15)13-7-8-22-11-13/h7-8,11-12,14,20H,2-6,9-10H2,1H3.

What are the key properties of 1-[cyclohexyl-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]amino]propan-2-ol?

1-[cyclohexyl-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]amino]propan-2-ol has a molecular weight of 321.45 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[cyclohexyl-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]amino]propan-2-ol is sourced from PubChem (CID 111103333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).