formic acid;N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide

C21H28N4O4 — CID 154912620

About formic acid;N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide

formic acid;N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide (PubChem CID 154912620) has the molecular formula C21H28N4O4 and a molecular weight of 400.48 g/mol. Its IUPAC name is formic acid;N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide.

Molecular Properties

• Compound Name: formic acid;N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide
• PubChem CID: 154912620
• Molecular Formula: C21H28N4O4
• Molecular Weight: 400.48 g/mol
• Exact Mass: 400.21
• IUPAC Name: formic acid;N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide
• SMILES: CN(Cc1nnc(-c2ccccc2)o1)C(=O)C1(N2CCCC2)CCCC1.O=CO
• InChI: InChI=1S/C20H26N4O2.CH2O2/c1-23(15-17-21-22-18(26-17)16-9-3-2-4-10-16)19(25)20(11-5-6-12-20)24-13-7-8-14-24;2-1-3/h2-4,9-10H,5-8,11-15H2,1H3;1H,(H,2,3)
• InChIKey: MHOCOXIOENICNG-UHFFFAOYSA-N
• XLogP: 2.80
• TPSA: 99.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	400.48
LogP ≤ 5	2.80
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of formic acid;N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide?

The IUPAC name of formic acid;N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide (CID 154912620) is formic acid;N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide.

What is the SMILES notation for formic acid;N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide?

The canonical SMILES for formic acid;N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide is CN(Cc1nnc(-c2ccccc2)o1)C(=O)C1(N2CCCC2)CCCC1.O=CO.

What is the InChIKey of formic acid;N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide?

The InChIKey is MHOCOXIOENICNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2.CH2O2/c1-23(15-17-21-22-18(26-17)16-9-3-2-4-10-16)19(25)20(11-5-6-12-20)24-13-7-8-14-24;2-1-3/h2-4,9-10H,5-8,11-15H2,1H3;1H,(H,2,3).

What are the key properties of formic acid;N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide?

formic acid;N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide has a molecular weight of 400.48 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for formic acid;N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide is sourced from PubChem (CID 154912620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).