2-[(5R,7R)-3-hydroxy-1-adamantyl]-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]acetamide

C18H26N2O3 — CID 98421689

About 2-[(5R,7R)-3-hydroxy-1-adamantyl]-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]acetamide

2-[(5R,7R)-3-hydroxy-1-adamantyl]-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]acetamide (PubChem CID 98421689) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is 2-[(5R,7R)-3-hydroxy-1-adamantyl]-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]acetamide.

Molecular Properties

• Compound Name: 2-[(5R,7R)-3-hydroxy-1-adamantyl]-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]acetamide
• PubChem CID: 98421689
• Molecular Formula: C18H26N2O3
• Molecular Weight: 318.42 g/mol
• Exact Mass: 318.19
• IUPAC Name: 2-[(5R,7R)-3-hydroxy-1-adamantyl]-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]acetamide
• SMILES: Cc1cc(CN(C)C(=O)CC23C[C@H]4C[C@@H](CC(O)(C4)C2)C3)no1
• InChI: InChI=1S/C18H26N2O3/c1-12-3-15(19-23-12)10-20(2)16(21)9-17-5-13-4-14(6-17)8-18(22,7-13)11-17/h3,13-14,22H,4-11H2,1-2H3/t13-,14-,17?,18?/m1/s1
• InChIKey: JYLAIZYHGVUFRF-JDPPGYRCSA-N
• XLogP: 2.66
• TPSA: 66.57 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	318.42
LogP ≤ 5	2.66
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[(5R,7R)-3-hydroxy-1-adamantyl]-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]acetamide?

The IUPAC name of 2-[(5R,7R)-3-hydroxy-1-adamantyl]-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]acetamide (CID 98421689) is 2-[(5R,7R)-3-hydroxy-1-adamantyl]-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]acetamide.

What is the SMILES notation for 2-[(5R,7R)-3-hydroxy-1-adamantyl]-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]acetamide?

The canonical SMILES for 2-[(5R,7R)-3-hydroxy-1-adamantyl]-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]acetamide is Cc1cc(CN(C)C(=O)CC23C[C@H]4C[C@@H](CC(O)(C4)C2)C3)no1.

What is the InChIKey of 2-[(5R,7R)-3-hydroxy-1-adamantyl]-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]acetamide?

The InChIKey is JYLAIZYHGVUFRF-JDPPGYRCSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-12-3-15(19-23-12)10-20(2)16(21)9-17-5-13-4-14(6-17)8-18(22,7-13)11-17/h3,13-14,22H,4-11H2,1-2H3/t13-,14-,17?,18?/m1/s1.

What are the key properties of 2-[(5R,7R)-3-hydroxy-1-adamantyl]-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]acetamide?

2-[(5R,7R)-3-hydroxy-1-adamantyl]-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]acetamide has a molecular weight of 318.42 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(5R,7R)-3-hydroxy-1-adamantyl]-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]acetamide is sourced from PubChem (CID 98421689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).