3-ethyl-N-[[(3R)-3-hydroxy-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]methyl]-5-methyl-1,2-oxazole-4-carboxamide

C18H25N5O3 — CID 125001107

About 3-ethyl-N-[[(3R)-3-hydroxy-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]methyl]-5-methyl-1,2-oxazole-4-carboxamide

3-ethyl-N-[[(3R)-3-hydroxy-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]methyl]-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 125001107) has the molecular formula C18H25N5O3 and a molecular weight of 359.43 g/mol. Its IUPAC name is 3-ethyl-N-[[(3R)-3-hydroxy-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]methyl]-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

• Compound Name: 3-ethyl-N-[[(3R)-3-hydroxy-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]methyl]-5-methyl-1,2-oxazole-4-carboxamide
• PubChem CID: 125001107
• Molecular Formula: C18H25N5O3
• Molecular Weight: 359.43 g/mol
• Exact Mass: 359.20
• IUPAC Name: 3-ethyl-N-[[(3R)-3-hydroxy-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]methyl]-5-methyl-1,2-oxazole-4-carboxamide
• SMILES: CCc1noc(C)c1C(=O)NC[C@]1(O)CCCN(c2cc(C)ncn2)C1
• InChI: InChI=1S/C18H25N5O3/c1-4-14-16(13(3)26-22-14)17(24)19-9-18(25)6-5-7-23(10-18)15-8-12(2)20-11-21-15/h8,11,25H,4-7,9-10H2,1-3H3,(H,19,24)/t18-/m1/s1
• InChIKey: SAQNSDYDNDDTCH-GOSISDBHSA-N
• XLogP: 1.41
• TPSA: 104.38 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	359.43
LogP ≤ 5	1.41
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[[(3R)-3-hydroxy-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]methyl]-5-methyl-1,2-oxazole-4-carboxamide?

The IUPAC name of 3-ethyl-N-[[(3R)-3-hydroxy-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]methyl]-5-methyl-1,2-oxazole-4-carboxamide (CID 125001107) is 3-ethyl-N-[[(3R)-3-hydroxy-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]methyl]-5-methyl-1,2-oxazole-4-carboxamide.

What is the SMILES notation for 3-ethyl-N-[[(3R)-3-hydroxy-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]methyl]-5-methyl-1,2-oxazole-4-carboxamide?

The canonical SMILES for 3-ethyl-N-[[(3R)-3-hydroxy-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]methyl]-5-methyl-1,2-oxazole-4-carboxamide is CCc1noc(C)c1C(=O)NC[C@]1(O)CCCN(c2cc(C)ncn2)C1.

What is the InChIKey of 3-ethyl-N-[[(3R)-3-hydroxy-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]methyl]-5-methyl-1,2-oxazole-4-carboxamide?

The InChIKey is SAQNSDYDNDDTCH-GOSISDBHSA-N. The full InChI is InChI=1S/C18H25N5O3/c1-4-14-16(13(3)26-22-14)17(24)19-9-18(25)6-5-7-23(10-18)15-8-12(2)20-11-21-15/h8,11,25H,4-7,9-10H2,1-3H3,(H,19,24)/t18-/m1/s1.

What are the key properties of 3-ethyl-N-[[(3R)-3-hydroxy-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]methyl]-5-methyl-1,2-oxazole-4-carboxamide?

3-ethyl-N-[[(3R)-3-hydroxy-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]methyl]-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 359.43 g/mol, XLogP of 1.41, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-ethyl-N-[[(3R)-3-hydroxy-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]methyl]-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 125001107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).