4-[6-[[(3R)-1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]methyl]pyrimidin-4-yl]-3,5-dimethyl-1,2-oxazole

C19H24N6O — CID 124974631

About 4-[6-[[(3R)-1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]methyl]pyrimidin-4-yl]-3,5-dimethyl-1,2-oxazole

4-[6-[[(3R)-1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]methyl]pyrimidin-4-yl]-3,5-dimethyl-1,2-oxazole (PubChem CID 124974631) has the molecular formula C19H24N6O and a molecular weight of 352.44 g/mol. Its IUPAC name is 4-[6-[[(3R)-1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]methyl]pyrimidin-4-yl]-3,5-dimethyl-1,2-oxazole.

Molecular Properties

• Compound Name: 4-[6-[[(3R)-1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]methyl]pyrimidin-4-yl]-3,5-dimethyl-1,2-oxazole
• PubChem CID: 124974631
• Molecular Formula: C19H24N6O
• Molecular Weight: 352.44 g/mol
• Exact Mass: 352.20
• IUPAC Name: 4-[6-[[(3R)-1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]methyl]pyrimidin-4-yl]-3,5-dimethyl-1,2-oxazole
• SMILES: Cc1noc(C)c1-c1cc(C[C@H]2CCCN(Cc3cnc[nH]3)C2)ncn1
• InChI: InChI=1S/C19H24N6O/c1-13-19(14(2)26-24-13)18-7-16(22-12-23-18)6-15-4-3-5-25(9-15)10-17-8-20-11-21-17/h7-8,11-12,15H,3-6,9-10H2,1-2H3,(H,20,21)/t15-/m1/s1
• InChIKey: KSAMURZEIZLRJG-OAHLLOKOSA-N
• XLogP: 2.93
• TPSA: 83.73 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	352.44
LogP ≤ 5	2.93
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-[6-[[(3R)-1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]methyl]pyrimidin-4-yl]-3,5-dimethyl-1,2-oxazole?

The IUPAC name of 4-[6-[[(3R)-1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]methyl]pyrimidin-4-yl]-3,5-dimethyl-1,2-oxazole (CID 124974631) is 4-[6-[[(3R)-1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]methyl]pyrimidin-4-yl]-3,5-dimethyl-1,2-oxazole.

What is the SMILES notation for 4-[6-[[(3R)-1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]methyl]pyrimidin-4-yl]-3,5-dimethyl-1,2-oxazole?

The canonical SMILES for 4-[6-[[(3R)-1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]methyl]pyrimidin-4-yl]-3,5-dimethyl-1,2-oxazole is Cc1noc(C)c1-c1cc(C[C@H]2CCCN(Cc3cnc[nH]3)C2)ncn1.

What is the InChIKey of 4-[6-[[(3R)-1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]methyl]pyrimidin-4-yl]-3,5-dimethyl-1,2-oxazole?

The InChIKey is KSAMURZEIZLRJG-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H24N6O/c1-13-19(14(2)26-24-13)18-7-16(22-12-23-18)6-15-4-3-5-25(9-15)10-17-8-20-11-21-17/h7-8,11-12,15H,3-6,9-10H2,1-2H3,(H,20,21)/t15-/m1/s1.

What are the key properties of 4-[6-[[(3R)-1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]methyl]pyrimidin-4-yl]-3,5-dimethyl-1,2-oxazole?

4-[6-[[(3R)-1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]methyl]pyrimidin-4-yl]-3,5-dimethyl-1,2-oxazole has a molecular weight of 352.44 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[6-[[(3R)-1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]methyl]pyrimidin-4-yl]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 124974631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).