1-[5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-(thiophen-2-ylmethyl)imidazole-4-carboxamide

C19H18N6O2S — CID 53178904

About 1-[5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-(thiophen-2-ylmethyl)imidazole-4-carboxamide

1-[5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-(thiophen-2-ylmethyl)imidazole-4-carboxamide (PubChem CID 53178904) has the molecular formula C19H18N6O2S and a molecular weight of 394.46 g/mol. Its IUPAC name is 1-[5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-(thiophen-2-ylmethyl)imidazole-4-carboxamide.

Molecular Properties

• Compound Name: 1-[5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-(thiophen-2-ylmethyl)imidazole-4-carboxamide
• PubChem CID: 53178904
• Molecular Formula: C19H18N6O2S
• Molecular Weight: 394.46 g/mol
• Exact Mass: 394.12
• IUPAC Name: 1-[5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-(thiophen-2-ylmethyl)imidazole-4-carboxamide
• SMILES: CC(C)c1noc(-c2ccc(-n3cnc(C(=O)NCc4cccs4)c3)nc2)n1
• InChI: InChI=1S/C19H18N6O2S/c1-12(2)17-23-19(27-24-17)13-5-6-16(20-8-13)25-10-15(22-11-25)18(26)21-9-14-4-3-7-28-14/h3-8,10-12H,9H2,1-2H3,(H,21,26)
• InChIKey: GXMQLFNSNLDDLO-UHFFFAOYSA-N
• XLogP: 3.43
• TPSA: 98.73 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	394.46
LogP ≤ 5	3.43
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-(thiophen-2-ylmethyl)imidazole-4-carboxamide?

The IUPAC name of 1-[5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-(thiophen-2-ylmethyl)imidazole-4-carboxamide (CID 53178904) is 1-[5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-(thiophen-2-ylmethyl)imidazole-4-carboxamide.

What is the SMILES notation for 1-[5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-(thiophen-2-ylmethyl)imidazole-4-carboxamide?

The canonical SMILES for 1-[5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-(thiophen-2-ylmethyl)imidazole-4-carboxamide is CC(C)c1noc(-c2ccc(-n3cnc(C(=O)NCc4cccs4)c3)nc2)n1.

What is the InChIKey of 1-[5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-(thiophen-2-ylmethyl)imidazole-4-carboxamide?

The InChIKey is GXMQLFNSNLDDLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O2S/c1-12(2)17-23-19(27-24-17)13-5-6-16(20-8-13)25-10-15(22-11-25)18(26)21-9-14-4-3-7-28-14/h3-8,10-12H,9H2,1-2H3,(H,21,26).

What are the key properties of 1-[5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-(thiophen-2-ylmethyl)imidazole-4-carboxamide?

1-[5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-(thiophen-2-ylmethyl)imidazole-4-carboxamide has a molecular weight of 394.46 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-(thiophen-2-ylmethyl)imidazole-4-carboxamide is sourced from PubChem (CID 53178904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).