N-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-2-[(4R)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]acetamide

C16H23N5O4 — CID 97134153

About N-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-2-[(4R)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]acetamide

N-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-2-[(4R)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]acetamide (PubChem CID 97134153) has the molecular formula C16H23N5O4 and a molecular weight of 349.39 g/mol. Its IUPAC name is N-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-2-[(4R)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]acetamide.

Molecular Properties

• Compound Name: N-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-2-[(4R)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]acetamide
• PubChem CID: 97134153
• Molecular Formula: C16H23N5O4
• Molecular Weight: 349.39 g/mol
• Exact Mass: 349.18
• IUPAC Name: N-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-2-[(4R)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]acetamide
• SMILES: CN1C(=O)[C@@H](CC(=O)NCc2nc(C3CCCCC3)no2)N(C)C1=O
• InChI: InChI=1S/C16H23N5O4/c1-20-11(15(23)21(2)16(20)24)8-12(22)17-9-13-18-14(19-25-13)10-6-4-3-5-7-10/h10-11H,3-9H2,1-2H3,(H,17,22)/t11-/m1/s1
• InChIKey: KVXMHSWZOISLOS-LLVKDONJSA-N
• XLogP: 1.02
• TPSA: 108.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	349.39
LogP ≤ 5	1.02
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydantoin', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-2-[(4R)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]acetamide?

The IUPAC name of N-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-2-[(4R)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]acetamide (CID 97134153) is N-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-2-[(4R)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]acetamide.

What is the SMILES notation for N-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-2-[(4R)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]acetamide?

The canonical SMILES for N-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-2-[(4R)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]acetamide is CN1C(=O)[C@@H](CC(=O)NCc2nc(C3CCCCC3)no2)N(C)C1=O.

What is the InChIKey of N-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-2-[(4R)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]acetamide?

The InChIKey is KVXMHSWZOISLOS-LLVKDONJSA-N. The full InChI is InChI=1S/C16H23N5O4/c1-20-11(15(23)21(2)16(20)24)8-12(22)17-9-13-18-14(19-25-13)10-6-4-3-5-7-10/h10-11H,3-9H2,1-2H3,(H,17,22)/t11-/m1/s1.

What are the key properties of N-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-2-[(4R)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]acetamide?

N-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-2-[(4R)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]acetamide has a molecular weight of 349.39 g/mol, XLogP of 1.02, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-2-[(4R)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]acetamide is sourced from PubChem (CID 97134153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).