3-[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]-N-(1,3-thiazol-2-yl)pyrrolidine-1-carboxamide

C15H22N6O2S — CID 127459377

About 3-[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]-N-(1,3-thiazol-2-yl)pyrrolidine-1-carboxamide

3-[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]-N-(1,3-thiazol-2-yl)pyrrolidine-1-carboxamide (PubChem CID 127459377) has the molecular formula C15H22N6O2S and a molecular weight of 350.45 g/mol. Its IUPAC name is 3-[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]-N-(1,3-thiazol-2-yl)pyrrolidine-1-carboxamide.

Molecular Properties

• Compound Name: 3-[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]-N-(1,3-thiazol-2-yl)pyrrolidine-1-carboxamide
• PubChem CID: 127459377
• Molecular Formula: C15H22N6O2S
• Molecular Weight: 350.45 g/mol
• Exact Mass: 350.15
• IUPAC Name: 3-[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]-N-(1,3-thiazol-2-yl)pyrrolidine-1-carboxamide
• SMILES: CC(C)c1nc(CN(C)C2CCN(C(=O)Nc3nccs3)C2)no1
• InChI: InChI=1S/C15H22N6O2S/c1-10(2)13-17-12(19-23-13)9-20(3)11-4-6-21(8-11)15(22)18-14-16-5-7-24-14/h5,7,10-11H,4,6,8-9H2,1-3H3,(H,16,18,22)
• InChIKey: OWLAUIUHJRUBTO-UHFFFAOYSA-N
• XLogP: 2.39
• TPSA: 87.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	350.45
LogP ≤ 5	2.39
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]-N-(1,3-thiazol-2-yl)pyrrolidine-1-carboxamide?

The IUPAC name of 3-[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]-N-(1,3-thiazol-2-yl)pyrrolidine-1-carboxamide (CID 127459377) is 3-[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]-N-(1,3-thiazol-2-yl)pyrrolidine-1-carboxamide.

What is the SMILES notation for 3-[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]-N-(1,3-thiazol-2-yl)pyrrolidine-1-carboxamide?

The canonical SMILES for 3-[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]-N-(1,3-thiazol-2-yl)pyrrolidine-1-carboxamide is CC(C)c1nc(CN(C)C2CCN(C(=O)Nc3nccs3)C2)no1.

What is the InChIKey of 3-[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]-N-(1,3-thiazol-2-yl)pyrrolidine-1-carboxamide?

The InChIKey is OWLAUIUHJRUBTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O2S/c1-10(2)13-17-12(19-23-13)9-20(3)11-4-6-21(8-11)15(22)18-14-16-5-7-24-14/h5,7,10-11H,4,6,8-9H2,1-3H3,(H,16,18,22).

What are the key properties of 3-[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]-N-(1,3-thiazol-2-yl)pyrrolidine-1-carboxamide?

3-[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]-N-(1,3-thiazol-2-yl)pyrrolidine-1-carboxamide has a molecular weight of 350.45 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]-N-(1,3-thiazol-2-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 127459377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).