carbonic acid;2-cyclopentyl-N-[3-(cyclopropylmethyl)-5-fluorophenyl]-2-[4-[(5-oxo-2-phenyl-1,3,4-oxadiazin-4-yl)methyl]phenyl]acetamide

C34H36FN3O6 — CID 66899410

About carbonic acid;2-cyclopentyl-N-[3-(cyclopropylmethyl)-5-fluorophenyl]-2-[4-[(5-oxo-2-phenyl-1,3,4-oxadiazin-4-yl)methyl]phenyl]acetamide

carbonic acid;2-cyclopentyl-N-[3-(cyclopropylmethyl)-5-fluorophenyl]-2-[4-[(5-oxo-2-phenyl-1,3,4-oxadiazin-4-yl)methyl]phenyl]acetamide (PubChem CID 66899410) has the molecular formula C34H36FN3O6 and a molecular weight of 601.68 g/mol. Its IUPAC name is carbonic acid;2-cyclopentyl-N-[3-(cyclopropylmethyl)-5-fluorophenyl]-2-[4-[(5-oxo-2-phenyl-1,3,4-oxadiazin-4-yl)methyl]phenyl]acetamide.

Molecular Properties

• Compound Name: carbonic acid;2-cyclopentyl-N-[3-(cyclopropylmethyl)-5-fluorophenyl]-2-[4-[(5-oxo-2-phenyl-1,3,4-oxadiazin-4-yl)methyl]phenyl]acetamide
• PubChem CID: 66899410
• Molecular Formula: C34H36FN3O6
• Molecular Weight: 601.68 g/mol
• Exact Mass: 601.26
• IUPAC Name: carbonic acid;2-cyclopentyl-N-[3-(cyclopropylmethyl)-5-fluorophenyl]-2-[4-[(5-oxo-2-phenyl-1,3,4-oxadiazin-4-yl)methyl]phenyl]acetamide
• SMILES: O=C(Nc1cc(F)cc(CC2CC2)c1)C(c1ccc(CN2N=C(c3ccccc3)OCC2=O)cc1)C1CCCC1.O=C(O)O
• InChI: InChI=1S/C33H34FN3O3.CH2O3/c34-28-17-24(16-22-10-11-22)18-29(19-28)35-32(39)31(25-6-4-5-7-25)26-14-12-23(13-15-26)20-37-30(38)21-40-33(36-37)27-8-2-1-3-9-27;2-1(3)4/h1-3,8-9,12-15,17-19,22,25,31H,4-7,10-11,16,20-21H2,(H,35,39);(H2,2,3,4)
• InChIKey: HPSDUZJBINWLFC-UHFFFAOYSA-N
• XLogP: 6.63
• TPSA: 128.53 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	601.68
LogP ≤ 5	6.63
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of carbonic acid;2-cyclopentyl-N-[3-(cyclopropylmethyl)-5-fluorophenyl]-2-[4-[(5-oxo-2-phenyl-1,3,4-oxadiazin-4-yl)methyl]phenyl]acetamide?

The IUPAC name of carbonic acid;2-cyclopentyl-N-[3-(cyclopropylmethyl)-5-fluorophenyl]-2-[4-[(5-oxo-2-phenyl-1,3,4-oxadiazin-4-yl)methyl]phenyl]acetamide (CID 66899410) is carbonic acid;2-cyclopentyl-N-[3-(cyclopropylmethyl)-5-fluorophenyl]-2-[4-[(5-oxo-2-phenyl-1,3,4-oxadiazin-4-yl)methyl]phenyl]acetamide.

What is the SMILES notation for carbonic acid;2-cyclopentyl-N-[3-(cyclopropylmethyl)-5-fluorophenyl]-2-[4-[(5-oxo-2-phenyl-1,3,4-oxadiazin-4-yl)methyl]phenyl]acetamide?

The canonical SMILES for carbonic acid;2-cyclopentyl-N-[3-(cyclopropylmethyl)-5-fluorophenyl]-2-[4-[(5-oxo-2-phenyl-1,3,4-oxadiazin-4-yl)methyl]phenyl]acetamide is O=C(Nc1cc(F)cc(CC2CC2)c1)C(c1ccc(CN2N=C(c3ccccc3)OCC2=O)cc1)C1CCCC1.O=C(O)O.

What is the InChIKey of carbonic acid;2-cyclopentyl-N-[3-(cyclopropylmethyl)-5-fluorophenyl]-2-[4-[(5-oxo-2-phenyl-1,3,4-oxadiazin-4-yl)methyl]phenyl]acetamide?

The InChIKey is HPSDUZJBINWLFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H34FN3O3.CH2O3/c34-28-17-24(16-22-10-11-22)18-29(19-28)35-32(39)31(25-6-4-5-7-25)26-14-12-23(13-15-26)20-37-30(38)21-40-33(36-37)27-8-2-1-3-9-27;2-1(3)4/h1-3,8-9,12-15,17-19,22,25,31H,4-7,10-11,16,20-21H2,(H,35,39);(H2,2,3,4).

What are the key properties of carbonic acid;2-cyclopentyl-N-[3-(cyclopropylmethyl)-5-fluorophenyl]-2-[4-[(5-oxo-2-phenyl-1,3,4-oxadiazin-4-yl)methyl]phenyl]acetamide?

carbonic acid;2-cyclopentyl-N-[3-(cyclopropylmethyl)-5-fluorophenyl]-2-[4-[(5-oxo-2-phenyl-1,3,4-oxadiazin-4-yl)methyl]phenyl]acetamide has a molecular weight of 601.68 g/mol, XLogP of 6.63, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for carbonic acid;2-cyclopentyl-N-[3-(cyclopropylmethyl)-5-fluorophenyl]-2-[4-[(5-oxo-2-phenyl-1,3,4-oxadiazin-4-yl)methyl]phenyl]acetamide is sourced from PubChem (CID 66899410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).