ethyl 5-[[2-[2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]pyrazolidine-3-carbonyl]amino]-1,3,4-oxadiazole-2-carboxylate

C19H28N6O7 — CID 77137105

About ethyl 5-[[2-[2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]pyrazolidine-3-carbonyl]amino]-1,3,4-oxadiazole-2-carboxylate

ethyl 5-[[2-[2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]pyrazolidine-3-carbonyl]amino]-1,3,4-oxadiazole-2-carboxylate (PubChem CID 77137105) has the molecular formula C19H28N6O7 and a molecular weight of 452.47 g/mol. Its IUPAC name is ethyl 5-[[2-[2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]pyrazolidine-3-carbonyl]amino]-1,3,4-oxadiazole-2-carboxylate.

Molecular Properties

• Compound Name: ethyl 5-[[2-[2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]pyrazolidine-3-carbonyl]amino]-1,3,4-oxadiazole-2-carboxylate
• PubChem CID: 77137105
• Molecular Formula: C19H28N6O7
• Molecular Weight: 452.47 g/mol
• Exact Mass: 452.20
• IUPAC Name: ethyl 5-[[2-[2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]pyrazolidine-3-carbonyl]amino]-1,3,4-oxadiazole-2-carboxylate
• SMILES: CCOC(=O)c1nnc(NC(=O)C2CCNN2C(=O)C(CC2CCCC2)CN(O)C=O)o1
• InChI: InChI=1S/C19H28N6O7/c1-2-31-18(29)16-22-23-19(32-16)21-15(27)14-7-8-20-25(14)17(28)13(10-24(30)11-26)9-12-5-3-4-6-12/h11-14,20,30H,2-10H2,1H3,(H,21,23,27)
• InChIKey: JRKBNYLZQFVJGB-UHFFFAOYSA-N
• XLogP: 0.33
• TPSA: 167.20 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	452.47
LogP ≤ 5	0.33
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[[2-[2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]pyrazolidine-3-carbonyl]amino]-1,3,4-oxadiazole-2-carboxylate?

The IUPAC name of ethyl 5-[[2-[2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]pyrazolidine-3-carbonyl]amino]-1,3,4-oxadiazole-2-carboxylate (CID 77137105) is ethyl 5-[[2-[2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]pyrazolidine-3-carbonyl]amino]-1,3,4-oxadiazole-2-carboxylate.

What is the SMILES notation for ethyl 5-[[2-[2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]pyrazolidine-3-carbonyl]amino]-1,3,4-oxadiazole-2-carboxylate?

The canonical SMILES for ethyl 5-[[2-[2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]pyrazolidine-3-carbonyl]amino]-1,3,4-oxadiazole-2-carboxylate is CCOC(=O)c1nnc(NC(=O)C2CCNN2C(=O)C(CC2CCCC2)CN(O)C=O)o1.

What is the InChIKey of ethyl 5-[[2-[2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]pyrazolidine-3-carbonyl]amino]-1,3,4-oxadiazole-2-carboxylate?

The InChIKey is JRKBNYLZQFVJGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6O7/c1-2-31-18(29)16-22-23-19(32-16)21-15(27)14-7-8-20-25(14)17(28)13(10-24(30)11-26)9-12-5-3-4-6-12/h11-14,20,30H,2-10H2,1H3,(H,21,23,27).

What are the key properties of ethyl 5-[[2-[2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]pyrazolidine-3-carbonyl]amino]-1,3,4-oxadiazole-2-carboxylate?

ethyl 5-[[2-[2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]pyrazolidine-3-carbonyl]amino]-1,3,4-oxadiazole-2-carboxylate has a molecular weight of 452.47 g/mol, XLogP of 0.33, 10 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 5-[[2-[2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]pyrazolidine-3-carbonyl]amino]-1,3,4-oxadiazole-2-carboxylate is sourced from PubChem (CID 77137105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).