4-[6-[(2S)-1-(1H-imidazol-5-ylmethyl)pyrrolidin-2-yl]pyrazin-2-yl]-3,5-dimethyl-1,2-oxazole

C17H20N6O — CID 124964060

About 4-[6-[(2S)-1-(1H-imidazol-5-ylmethyl)pyrrolidin-2-yl]pyrazin-2-yl]-3,5-dimethyl-1,2-oxazole

4-[6-[(2S)-1-(1H-imidazol-5-ylmethyl)pyrrolidin-2-yl]pyrazin-2-yl]-3,5-dimethyl-1,2-oxazole (PubChem CID 124964060) has the molecular formula C17H20N6O and a molecular weight of 324.39 g/mol. Its IUPAC name is 4-[6-[(2S)-1-(1H-imidazol-5-ylmethyl)pyrrolidin-2-yl]pyrazin-2-yl]-3,5-dimethyl-1,2-oxazole.

Molecular Properties

• Compound Name: 4-[6-[(2S)-1-(1H-imidazol-5-ylmethyl)pyrrolidin-2-yl]pyrazin-2-yl]-3,5-dimethyl-1,2-oxazole
• PubChem CID: 124964060
• Molecular Formula: C17H20N6O
• Molecular Weight: 324.39 g/mol
• Exact Mass: 324.17
• IUPAC Name: 4-[6-[(2S)-1-(1H-imidazol-5-ylmethyl)pyrrolidin-2-yl]pyrazin-2-yl]-3,5-dimethyl-1,2-oxazole
• SMILES: Cc1noc(C)c1-c1cncc([C@@H]2CCCN2Cc2cnc[nH]2)n1
• InChI: InChI=1S/C17H20N6O/c1-11-17(12(2)24-22-11)15-8-18-7-14(21-15)16-4-3-5-23(16)9-13-6-19-10-20-13/h6-8,10,16H,3-5,9H2,1-2H3,(H,19,20)/t16-/m0/s1
• InChIKey: HUTXXMFRZXMPGD-INIZCTEOSA-N
• XLogP: 2.81
• TPSA: 83.73 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	324.39
LogP ≤ 5	2.81
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-[6-[(2S)-1-(1H-imidazol-5-ylmethyl)pyrrolidin-2-yl]pyrazin-2-yl]-3,5-dimethyl-1,2-oxazole?

The IUPAC name of 4-[6-[(2S)-1-(1H-imidazol-5-ylmethyl)pyrrolidin-2-yl]pyrazin-2-yl]-3,5-dimethyl-1,2-oxazole (CID 124964060) is 4-[6-[(2S)-1-(1H-imidazol-5-ylmethyl)pyrrolidin-2-yl]pyrazin-2-yl]-3,5-dimethyl-1,2-oxazole.

What is the SMILES notation for 4-[6-[(2S)-1-(1H-imidazol-5-ylmethyl)pyrrolidin-2-yl]pyrazin-2-yl]-3,5-dimethyl-1,2-oxazole?

The canonical SMILES for 4-[6-[(2S)-1-(1H-imidazol-5-ylmethyl)pyrrolidin-2-yl]pyrazin-2-yl]-3,5-dimethyl-1,2-oxazole is Cc1noc(C)c1-c1cncc([C@@H]2CCCN2Cc2cnc[nH]2)n1.

What is the InChIKey of 4-[6-[(2S)-1-(1H-imidazol-5-ylmethyl)pyrrolidin-2-yl]pyrazin-2-yl]-3,5-dimethyl-1,2-oxazole?

The InChIKey is HUTXXMFRZXMPGD-INIZCTEOSA-N. The full InChI is InChI=1S/C17H20N6O/c1-11-17(12(2)24-22-11)15-8-18-7-14(21-15)16-4-3-5-23(16)9-13-6-19-10-20-13/h6-8,10,16H,3-5,9H2,1-2H3,(H,19,20)/t16-/m0/s1.

What are the key properties of 4-[6-[(2S)-1-(1H-imidazol-5-ylmethyl)pyrrolidin-2-yl]pyrazin-2-yl]-3,5-dimethyl-1,2-oxazole?

4-[6-[(2S)-1-(1H-imidazol-5-ylmethyl)pyrrolidin-2-yl]pyrazin-2-yl]-3,5-dimethyl-1,2-oxazole has a molecular weight of 324.39 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[6-[(2S)-1-(1H-imidazol-5-ylmethyl)pyrrolidin-2-yl]pyrazin-2-yl]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 124964060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).