1-[methyl-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanoyl]amino]cyclohexane-1-carboxylic acid

C16H25N3O4 — CID 120539428

About 1-[methyl-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanoyl]amino]cyclohexane-1-carboxylic acid

1-[methyl-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanoyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 120539428) has the molecular formula C16H25N3O4 and a molecular weight of 323.39 g/mol. Its IUPAC name is 1-[methyl-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanoyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

• Compound Name: 1-[methyl-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanoyl]amino]cyclohexane-1-carboxylic acid
• PubChem CID: 120539428
• Molecular Formula: C16H25N3O4
• Molecular Weight: 323.39 g/mol
• Exact Mass: 323.18
• IUPAC Name: 1-[methyl-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanoyl]amino]cyclohexane-1-carboxylic acid
• SMILES: CC(C)c1noc(CCC(=O)N(C)C2(C(=O)O)CCCCC2)n1
• InChI: InChI=1S/C16H25N3O4/c1-11(2)14-17-12(23-18-14)7-8-13(20)19(3)16(15(21)22)9-5-4-6-10-16/h11H,4-10H2,1-3H3,(H,21,22)
• InChIKey: ZGSAVIQUVURULJ-UHFFFAOYSA-N
• XLogP: 2.37
• TPSA: 96.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	323.39
LogP ≤ 5	2.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[methyl-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanoyl]amino]cyclohexane-1-carboxylic acid?

The IUPAC name of 1-[methyl-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanoyl]amino]cyclohexane-1-carboxylic acid (CID 120539428) is 1-[methyl-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanoyl]amino]cyclohexane-1-carboxylic acid.

What is the SMILES notation for 1-[methyl-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanoyl]amino]cyclohexane-1-carboxylic acid?

The canonical SMILES for 1-[methyl-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanoyl]amino]cyclohexane-1-carboxylic acid is CC(C)c1noc(CCC(=O)N(C)C2(C(=O)O)CCCCC2)n1.

What is the InChIKey of 1-[methyl-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanoyl]amino]cyclohexane-1-carboxylic acid?

The InChIKey is ZGSAVIQUVURULJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O4/c1-11(2)14-17-12(23-18-14)7-8-13(20)19(3)16(15(21)22)9-5-4-6-10-16/h11H,4-10H2,1-3H3,(H,21,22).

What are the key properties of 1-[methyl-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanoyl]amino]cyclohexane-1-carboxylic acid?

1-[methyl-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanoyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 323.39 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[methyl-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanoyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 120539428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).