bis([3-(2-bromophenyl)-1,2-oxazol-5-yl]methyl cyclopentanecarboxylate);[3-(3-bromophenyl)-1,2-oxazol-5-yl]methyl cyclopentanecarboxylate;tris([3-(4-bromophenyl)-1,2-oxazol-5-yl]methyl cyclopentanecarboxylate);iron;bis([3-(4-nitrophenyl)-1,2-oxazol-5-yl]methyl cyclopentanecarboxylate);bis(N-[(3-phenyl-1,2-oxazol-5-yl)methyl]cyclopentanecarboxamide)

C160H164Br6Fe5N14O32 — CID 162301001

About bis([3-(2-bromophenyl)-1,2-oxazol-5-yl]methyl cyclopentanecarboxylate);[3-(3-bromophenyl)-1,2-oxazol-5-yl]methyl cyclopentanecarboxylate;tris([3-(4-bromophenyl)-1,2-oxazol-5-yl]methyl cyclopentanecarboxylate);iron;bis([3-(4-nitrophenyl)-1,2-oxazol-5-yl]methyl cyclopentanecarboxylate);bis(N-[(3-phenyl-1,2-oxazol-5-yl)methyl]cyclopentanecarboxamide)

bis([3-(2-bromophenyl)-1,2-oxazol-5-yl]methyl cyclopentanecarboxylate);[3-(3-bromophenyl)-1,2-oxazol-5-yl]methyl cyclopentanecarboxylate;tris([3-(4-bromophenyl)-1,2-oxazol-5-yl]methyl cyclopentanecarboxylate);iron;bis([3-(4-nitrophenyl)-1,2-oxazol-5-yl]methyl cyclopentanecarboxylate);bis(N-[(3-phenyl-1,2-oxazol-5-yl)methyl]cyclopentanecarboxamide) (PubChem CID 162301001) has the molecular formula C160H164Br6Fe5N14O32 and a molecular weight of 3553.79 g/mol. Its IUPAC name is bis([3-(2-bromophenyl)-1,2-oxazol-5-yl]methyl cyclopentanecarboxylate);[3-(3-bromophenyl)-1,2-oxazol-5-yl]methyl cyclopentanecarboxylate;tris([3-(4-bromophenyl)-1,2-oxazol-5-yl]methyl cyclopentanecarboxylate);iron;bis([3-(4-nitrophenyl)-1,2-oxazol-5-yl]methyl cyclopentanecarboxylate);bis(N-[(3-phenyl-1,2-oxazol-5-yl)methyl]cyclopentanecarboxamide).

Molecular Properties

• Compound Name: bis([3-(2-bromophenyl)-1,2-oxazol-5-yl]methyl cyclopentanecarboxylate);[3-(3-bromophenyl)-1,2-oxazol-5-yl]methyl cyclopentanecarboxylate;tris([3-(4-bromophenyl)-1,2-oxazol-5-yl]methyl cyclopentanecarboxylate);iron;bis([3-(4-nitrophenyl)-1,2-oxazol-5-yl]methyl cyclopentanecarboxylate);bis(N-[(3-phenyl-1,2-oxazol-5-yl)methyl]cyclopentanecarboxamide)
• PubChem CID: 162301001
• Molecular Formula: C160H164Br6Fe5N14O32
• Molecular Weight: 3553.79 g/mol
• Exact Mass: 3546.35
• IUPAC Name: bis([3-(2-bromophenyl)-1,2-oxazol-5-yl]methyl cyclopentanecarboxylate);[3-(3-bromophenyl)-1,2-oxazol-5-yl]methyl cyclopentanecarboxylate;tris([3-(4-bromophenyl)-1,2-oxazol-5-yl]methyl cyclopentanecarboxylate);iron;bis([3-(4-nitrophenyl)-1,2-oxazol-5-yl]methyl cyclopentanecarboxylate);bis(N-[(3-phenyl-1,2-oxazol-5-yl)methyl]cyclopentanecarboxamide)
• SMILES: O=C(NCc1cc(-c2ccccc2)no1)C1CCCC1.O=C(NCc1cc(-c2ccccc2)no1)C1CCCC1.O=C(OCc1cc(-c2ccc(Br)cc2)no1)C1CCCC1.O=C(OCc1cc(-c2ccc(Br)cc2)no1)C1CCCC1.O=C(OCc1cc(-c2ccc(Br)cc2)no1)C1CCCC1.O=C(OCc1cc(-c2ccc([N+](=O)[O-])cc2)no1)C1CCCC1.O=C(OCc1cc(-c2ccc([N+](=O)[O-])cc2)no1)C1CCCC1.O=C(OCc1cc(-c2cccc(Br)c2)no1)C1CCCC1.O=C(OCc1cc(-c2ccccc2Br)no1)C1CCCC1.O=C(OCc1cc(-c2ccccc2Br)no1)C1CCCC1.[Fe].[Fe].[Fe].[Fe].[Fe]
• InChI: InChI=1S/6C16H16BrNO3.2C16H16N2O5.2C16H18N2O2.5Fe/c2*17-14-8-4-3-7-13(14)15-9-12(21-18-15)10-20-16(19)11-5-1-2-6-11;17-13-7-3-6-12(8-13)15-9-14(21-18-15)10-20-16(19)11-4-1-2-5-11;3*17-13-7-5-11(6-8-13)15-9-14(21-18-15)10-20-16(19)12-3-1-2-4-12;2*19-16(12-3-1-2-4-12)22-10-14-9-15(17-23-14)11-5-7-13(8-6-11)18(20)21;2*19-16(13-8-4-5-9-13)17-11-14-10-15(18-20-14)12-6-2-1-3-7-12;;;;;/h2*3-4,7-9,11H,1-2,5-6,10H2;3,6-9,11H,1-2,4-5,10H2;3*5-9,12H,1-4,10H2;2*5-9,12H,1-4,10H2;2*1-3,6-7,10,13H,4-5,8-9,11H2,(H,17,19)
• InChIKey: GFDPNDMIJOOMNP-UHFFFAOYSA-N
• XLogP: 39.27
• TPSA: 615.18 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 42
• Rotatable Bonds: 42
• Heavy Atoms: 217
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3553.79
LogP ≤ 5	39.27
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	42

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis([3-(2-bromophenyl)-1,2-oxazol-5-yl]methyl cyclopentanecarboxylate);[3-(3-bromophenyl)-1,2-oxazol-5-yl]methyl cyclopentanecarboxylate;tris([3-(4-bromophenyl)-1,2-oxazol-5-yl]methyl cyclopentanecarboxylate);iron;bis([3-(4-nitrophenyl)-1,2-oxazol-5-yl]methyl cyclopentanecarboxylate);bis(N-[(3-phenyl-1,2-oxazol-5-yl)methyl]cyclopentanecarboxamide)?

The IUPAC name of bis([3-(2-bromophenyl)-1,2-oxazol-5-yl]methyl cyclopentanecarboxylate);[3-(3-bromophenyl)-1,2-oxazol-5-yl]methyl cyclopentanecarboxylate;tris([3-(4-bromophenyl)-1,2-oxazol-5-yl]methyl cyclopentanecarboxylate);iron;bis([3-(4-nitrophenyl)-1,2-oxazol-5-yl]methyl cyclopentanecarboxylate);bis(N-[(3-phenyl-1,2-oxazol-5-yl)methyl]cyclopentanecarboxamide) (CID 162301001) is bis([3-(2-bromophenyl)-1,2-oxazol-5-yl]methyl cyclopentanecarboxylate);[3-(3-bromophenyl)-1,2-oxazol-5-yl]methyl cyclopentanecarboxylate;tris([3-(4-bromophenyl)-1,2-oxazol-5-yl]methyl cyclopentanecarboxylate);iron;bis([3-(4-nitrophenyl)-1,2-oxazol-5-yl]methyl cyclopentanecarboxylate);bis(N-[(3-phenyl-1,2-oxazol-5-yl)methyl]cyclopentanecarboxamide).

What is the SMILES notation for bis([3-(2-bromophenyl)-1,2-oxazol-5-yl]methyl cyclopentanecarboxylate);[3-(3-bromophenyl)-1,2-oxazol-5-yl]methyl cyclopentanecarboxylate;tris([3-(4-bromophenyl)-1,2-oxazol-5-yl]methyl cyclopentanecarboxylate);iron;bis([3-(4-nitrophenyl)-1,2-oxazol-5-yl]methyl cyclopentanecarboxylate);bis(N-[(3-phenyl-1,2-oxazol-5-yl)methyl]cyclopentanecarboxamide)?

The canonical SMILES for bis([3-(2-bromophenyl)-1,2-oxazol-5-yl]methyl cyclopentanecarboxylate);[3-(3-bromophenyl)-1,2-oxazol-5-yl]methyl cyclopentanecarboxylate;tris([3-(4-bromophenyl)-1,2-oxazol-5-yl]methyl cyclopentanecarboxylate);iron;bis([3-(4-nitrophenyl)-1,2-oxazol-5-yl]methyl cyclopentanecarboxylate);bis(N-[(3-phenyl-1,2-oxazol-5-yl)methyl]cyclopentanecarboxamide) is O=C(NCc1cc(-c2ccccc2)no1)C1CCCC1.O=C(NCc1cc(-c2ccccc2)no1)C1CCCC1.O=C(OCc1cc(-c2ccc(Br)cc2)no1)C1CCCC1.O=C(OCc1cc(-c2ccc(Br)cc2)no1)C1CCCC1.O=C(OCc1cc(-c2ccc(Br)cc2)no1)C1CCCC1.O=C(OCc1cc(-c2ccc([N+](=O)[O-])cc2)no1)C1CCCC1.O=C(OCc1cc(-c2ccc([N+](=O)[O-])cc2)no1)C1CCCC1.O=C(OCc1cc(-c2cccc(Br)c2)no1)C1CCCC1.O=C(OCc1cc(-c2ccccc2Br)no1)C1CCCC1.O=C(OCc1cc(-c2ccccc2Br)no1)C1CCCC1.[Fe].[Fe].[Fe].[Fe].[Fe].

What is the InChIKey of bis([3-(2-bromophenyl)-1,2-oxazol-5-yl]methyl cyclopentanecarboxylate);[3-(3-bromophenyl)-1,2-oxazol-5-yl]methyl cyclopentanecarboxylate;tris([3-(4-bromophenyl)-1,2-oxazol-5-yl]methyl cyclopentanecarboxylate);iron;bis([3-(4-nitrophenyl)-1,2-oxazol-5-yl]methyl cyclopentanecarboxylate);bis(N-[(3-phenyl-1,2-oxazol-5-yl)methyl]cyclopentanecarboxamide)?

The InChIKey is GFDPNDMIJOOMNP-UHFFFAOYSA-N. The full InChI is InChI=1S/6C16H16BrNO3.2C16H16N2O5.2C16H18N2O2.5Fe/c2*17-14-8-4-3-7-13(14)15-9-12(21-18-15)10-20-16(19)11-5-1-2-6-11;17-13-7-3-6-12(8-13)15-9-14(21-18-15)10-20-16(19)11-4-1-2-5-11;3*17-13-7-5-11(6-8-13)15-9-14(21-18-15)10-20-16(19)12-3-1-2-4-12;2*19-16(12-3-1-2-4-12)22-10-14-9-15(17-23-14)11-5-7-13(8-6-11)18(20)21;2*19-16(13-8-4-5-9-13)17-11-14-10-15(18-20-14)12-6-2-1-3-7-12;;;;;/h2*3-4,7-9,11H,1-2,5-6,10H2;3,6-9,11H,1-2,4-5,10H2;3*5-9,12H,1-4,10H2;2*5-9,12H,1-4,10H2;2*1-3,6-7,10,13H,4-5,8-9,11H2,(H,17,19);;;;;.

What are the key properties of bis([3-(2-bromophenyl)-1,2-oxazol-5-yl]methyl cyclopentanecarboxylate);[3-(3-bromophenyl)-1,2-oxazol-5-yl]methyl cyclopentanecarboxylate;tris([3-(4-bromophenyl)-1,2-oxazol-5-yl]methyl cyclopentanecarboxylate);iron;bis([3-(4-nitrophenyl)-1,2-oxazol-5-yl]methyl cyclopentanecarboxylate);bis(N-[(3-phenyl-1,2-oxazol-5-yl)methyl]cyclopentanecarboxamide)?

bis([3-(2-bromophenyl)-1,2-oxazol-5-yl]methyl cyclopentanecarboxylate);[3-(3-bromophenyl)-1,2-oxazol-5-yl]methyl cyclopentanecarboxylate;tris([3-(4-bromophenyl)-1,2-oxazol-5-yl]methyl cyclopentanecarboxylate);iron;bis([3-(4-nitrophenyl)-1,2-oxazol-5-yl]methyl cyclopentanecarboxylate);bis(N-[(3-phenyl-1,2-oxazol-5-yl)methyl]cyclopentanecarboxamide) has a molecular weight of 3553.79 g/mol, XLogP of 39.27, 42 rotatable bonds, 2 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for bis([3-(2-bromophenyl)-1,2-oxazol-5-yl]methyl cyclopentanecarboxylate);[3-(3-bromophenyl)-1,2-oxazol-5-yl]methyl cyclopentanecarboxylate;tris([3-(4-bromophenyl)-1,2-oxazol-5-yl]methyl cyclopentanecarboxylate);iron;bis([3-(4-nitrophenyl)-1,2-oxazol-5-yl]methyl cyclopentanecarboxylate);bis(N-[(3-phenyl-1,2-oxazol-5-yl)methyl]cyclopentanecarboxamide) is sourced from PubChem (CID 162301001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).