2-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholine-4-carbonyl]thiophene-3-carbonitrile

C15H16N4O3S — CID 129004700

About 2-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholine-4-carbonyl]thiophene-3-carbonitrile

2-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholine-4-carbonyl]thiophene-3-carbonitrile (PubChem CID 129004700) has the molecular formula C15H16N4O3S and a molecular weight of 332.39 g/mol. Its IUPAC name is 2-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholine-4-carbonyl]thiophene-3-carbonitrile.

Molecular Properties

• Compound Name: 2-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholine-4-carbonyl]thiophene-3-carbonitrile
• PubChem CID: 129004700
• Molecular Formula: C15H16N4O3S
• Molecular Weight: 332.39 g/mol
• Exact Mass: 332.09
• IUPAC Name: 2-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholine-4-carbonyl]thiophene-3-carbonitrile
• SMILES: CC(C)c1nnc(C2CN(C(=O)c3sccc3C#N)CCO2)o1
• InChI: InChI=1S/C15H16N4O3S/c1-9(2)13-17-18-14(22-13)11-8-19(4-5-21-11)15(20)12-10(7-16)3-6-23-12/h3,6,9,11H,4-5,8H2,1-2H3
• InChIKey: JQJAFJVLJFSPPM-UHFFFAOYSA-N
• XLogP: 2.34
• TPSA: 92.25 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	332.39
LogP ≤ 5	2.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholine-4-carbonyl]thiophene-3-carbonitrile?

The IUPAC name of 2-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholine-4-carbonyl]thiophene-3-carbonitrile (CID 129004700) is 2-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholine-4-carbonyl]thiophene-3-carbonitrile.

What is the SMILES notation for 2-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholine-4-carbonyl]thiophene-3-carbonitrile?

The canonical SMILES for 2-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholine-4-carbonyl]thiophene-3-carbonitrile is CC(C)c1nnc(C2CN(C(=O)c3sccc3C#N)CCO2)o1.

What is the InChIKey of 2-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholine-4-carbonyl]thiophene-3-carbonitrile?

The InChIKey is JQJAFJVLJFSPPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O3S/c1-9(2)13-17-18-14(22-13)11-8-19(4-5-21-11)15(20)12-10(7-16)3-6-23-12/h3,6,9,11H,4-5,8H2,1-2H3.

What are the key properties of 2-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholine-4-carbonyl]thiophene-3-carbonitrile?

2-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholine-4-carbonyl]thiophene-3-carbonitrile has a molecular weight of 332.39 g/mol, XLogP of 2.34, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholine-4-carbonyl]thiophene-3-carbonitrile is sourced from PubChem (CID 129004700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).