N-[[(4S)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazin-4-yl]methyl]-1-phenylcyclopentane-1-carboxamide

C32H37N5O3 — CID 123715289

About N-[[(4S)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazin-4-yl]methyl]-1-phenylcyclopentane-1-carboxamide

N-[[(4S)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazin-4-yl]methyl]-1-phenylcyclopentane-1-carboxamide (PubChem CID 123715289) has the molecular formula C32H37N5O3 and a molecular weight of 539.68 g/mol. Its IUPAC name is N-[[(4S)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazin-4-yl]methyl]-1-phenylcyclopentane-1-carboxamide.

Molecular Properties

• Compound Name: N-[[(4S)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazin-4-yl]methyl]-1-phenylcyclopentane-1-carboxamide
• PubChem CID: 123715289
• Molecular Formula: C32H37N5O3
• Molecular Weight: 539.68 g/mol
• Exact Mass: 539.29
• IUPAC Name: N-[[(4S)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazin-4-yl]methyl]-1-phenylcyclopentane-1-carboxamide
• SMILES: COc1cc(C=C2CCCN3C2=NOC[C@@H]3CNC(=O)C2(c3ccccc3)CCCC2)ccc1-n1cnc(C)c1
• InChI: InChI=1S/C32H37N5O3/c1-23-20-36(22-34-23)28-13-12-24(18-29(28)39-2)17-25-9-8-16-37-27(21-40-35-30(25)37)19-33-31(38)32(14-6-7-15-32)26-10-4-3-5-11-26/h3-5,10-13,17-18,20,22,27H,6-9,14-16,19,21H2,1-2H3,(H,33,38)/t27-/m0/s1
• InChIKey: OHOMPFDCOIEOMY-MHZLTWQESA-N
• XLogP: 5.01
• TPSA: 80.98 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	539.68
LogP ≤ 5	5.01
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[[(4S)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazin-4-yl]methyl]-1-phenylcyclopentane-1-carboxamide?

The IUPAC name of N-[[(4S)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazin-4-yl]methyl]-1-phenylcyclopentane-1-carboxamide (CID 123715289) is N-[[(4S)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazin-4-yl]methyl]-1-phenylcyclopentane-1-carboxamide.

What is the SMILES notation for N-[[(4S)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazin-4-yl]methyl]-1-phenylcyclopentane-1-carboxamide?

The canonical SMILES for N-[[(4S)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazin-4-yl]methyl]-1-phenylcyclopentane-1-carboxamide is COc1cc(C=C2CCCN3C2=NOC[C@@H]3CNC(=O)C2(c3ccccc3)CCCC2)ccc1-n1cnc(C)c1.

What is the InChIKey of N-[[(4S)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazin-4-yl]methyl]-1-phenylcyclopentane-1-carboxamide?

The InChIKey is OHOMPFDCOIEOMY-MHZLTWQESA-N. The full InChI is InChI=1S/C32H37N5O3/c1-23-20-36(22-34-23)28-13-12-24(18-29(28)39-2)17-25-9-8-16-37-27(21-40-35-30(25)37)19-33-31(38)32(14-6-7-15-32)26-10-4-3-5-11-26/h3-5,10-13,17-18,20,22,27H,6-9,14-16,19,21H2,1-2H3,(H,33,38)/t27-/m0/s1.

What are the key properties of N-[[(4S)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazin-4-yl]methyl]-1-phenylcyclopentane-1-carboxamide?

N-[[(4S)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazin-4-yl]methyl]-1-phenylcyclopentane-1-carboxamide has a molecular weight of 539.68 g/mol, XLogP of 5.01, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[(4S)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazin-4-yl]methyl]-1-phenylcyclopentane-1-carboxamide is sourced from PubChem (CID 123715289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).