1-(4-fluorophenyl)ethyl N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate;3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-N-(2,2,2-trifluoroacetyl)benzamide;[(3S)-oxolan-3-yl] N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate;[(3R)-oxolan-3-yl] N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate;1-pyridin-4-ylethyl N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate

C104H75F9N16O21 — CID 160500198

About 1-(4-fluorophenyl)ethyl N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate;3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-N-(2,2,2-trifluoroacetyl)benzamide;[(3S)-oxolan-3-yl] N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate;[(3R)-oxolan-3-yl] N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate;1-pyridin-4-ylethyl N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate

1-(4-fluorophenyl)ethyl N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate;3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-N-(2,2,2-trifluoroacetyl)benzamide;[(3S)-oxolan-3-yl] N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate;[(3R)-oxolan-3-yl] N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate;1-pyridin-4-ylethyl N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate (PubChem CID 160500198) has the molecular formula C104H75F9N16O21 and a molecular weight of 2055.82 g/mol. Its IUPAC name is 1-(4-fluorophenyl)ethyl N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate;3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-N-(2,2,2-trifluoroacetyl)benzamide;[(3S)-oxolan-3-yl] N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate;[(3R)-oxolan-3-yl] N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate;1-pyridin-4-ylethyl N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate.

Molecular Properties

• Compound Name: 1-(4-fluorophenyl)ethyl N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate;3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-N-(2,2,2-trifluoroacetyl)benzamide;[(3S)-oxolan-3-yl] N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate;[(3R)-oxolan-3-yl] N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate;1-pyridin-4-ylethyl N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate
• PubChem CID: 160500198
• Molecular Formula: C104H75F9N16O21
• Molecular Weight: 2055.82 g/mol
• Exact Mass: 2054.51
• IUPAC Name: 1-(4-fluorophenyl)ethyl N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate;3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-N-(2,2,2-trifluoroacetyl)benzamide;[(3S)-oxolan-3-yl] N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate;[(3R)-oxolan-3-yl] N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate;1-pyridin-4-ylethyl N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate
• SMILES: CC(OC(=O)NC(=O)c1cccc(-c2noc(-c3ccccc3F)n2)c1)c1ccc(F)cc1.CC(OC(=O)NC(=O)c1cccc(-c2noc(-c3ccccc3F)n2)c1)c1ccncc1.O=C(NC(=O)C(F)(F)F)c1cccc(-c2noc(-c3ccccc3F)n2)c1.O=C(NC(=O)c1cccc(-c2noc(-c3ccccc3F)n2)c1)O[C@@H]1CCOC1.O=C(NC(=O)c1cccc(-c2noc(-c3ccccc3F)n2)c1)O[C@H]1CCOC1
• InChI: InChI=1S/C24H17F2N3O4.C23H17FN4O4.2C20H16FN3O5.C17H9F4N3O3/c1-14(15-9-11-18(25)12-10-15)32-24(31)28-22(30)17-6-4-5-16(13-17)21-27-23(33-29-21)19-7-2-3-8-20(19)26;1-14(15-9-11-25-12-10-15)31-23(30)27-21(29)17-6-4-5-16(13-17)20-26-22(32-28-20)18-7-2-3-8-19(18)24;2*21-16-7-2-1-6-15(16)19-22-17(24-29-19)12-4-3-5-13(10-12)18(25)23-20(26)28-14-8-9-27-11-14;18-12-7-2-1-6-11(12)15-22-13(24-27-15)9-4-3-5-10(8-9)14(25)23-16(26)17(19,20)21/h2-14H,1H3,(H,28,30,31);2-14H,1H3,(H,27,29,30);2*1-7,10,14H,8-9,11H2,(H,23,25,26);1-8H,(H,23,25,26)/t;;2*14-;/m..10./s1
• InChIKey: QRRLATIFDUMABY-ZFMDRBSTSA-N
• XLogP: 19.63
• TPSA: 493.72 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 32
• Rotatable Bonds: 21
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2055.82
LogP ≤ 5	19.63
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)ethyl N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate;3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-N-(2,2,2-trifluoroacetyl)benzamide;[(3S)-oxolan-3-yl] N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate;[(3R)-oxolan-3-yl] N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate;1-pyridin-4-ylethyl N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate?

The IUPAC name of 1-(4-fluorophenyl)ethyl N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate;3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-N-(2,2,2-trifluoroacetyl)benzamide;[(3S)-oxolan-3-yl] N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate;[(3R)-oxolan-3-yl] N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate;1-pyridin-4-ylethyl N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate (CID 160500198) is 1-(4-fluorophenyl)ethyl N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate;3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-N-(2,2,2-trifluoroacetyl)benzamide;[(3S)-oxolan-3-yl] N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate;[(3R)-oxolan-3-yl] N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate;1-pyridin-4-ylethyl N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate.

What is the SMILES notation for 1-(4-fluorophenyl)ethyl N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate;3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-N-(2,2,2-trifluoroacetyl)benzamide;[(3S)-oxolan-3-yl] N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate;[(3R)-oxolan-3-yl] N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate;1-pyridin-4-ylethyl N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate?

The canonical SMILES for 1-(4-fluorophenyl)ethyl N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate;3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-N-(2,2,2-trifluoroacetyl)benzamide;[(3S)-oxolan-3-yl] N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate;[(3R)-oxolan-3-yl] N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate;1-pyridin-4-ylethyl N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate is CC(OC(=O)NC(=O)c1cccc(-c2noc(-c3ccccc3F)n2)c1)c1ccc(F)cc1.CC(OC(=O)NC(=O)c1cccc(-c2noc(-c3ccccc3F)n2)c1)c1ccncc1.O=C(NC(=O)C(F)(F)F)c1cccc(-c2noc(-c3ccccc3F)n2)c1.O=C(NC(=O)c1cccc(-c2noc(-c3ccccc3F)n2)c1)O[C@@H]1CCOC1.O=C(NC(=O)c1cccc(-c2noc(-c3ccccc3F)n2)c1)O[C@H]1CCOC1.

What is the InChIKey of 1-(4-fluorophenyl)ethyl N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate;3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-N-(2,2,2-trifluoroacetyl)benzamide;[(3S)-oxolan-3-yl] N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate;[(3R)-oxolan-3-yl] N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate;1-pyridin-4-ylethyl N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate?

The InChIKey is QRRLATIFDUMABY-ZFMDRBSTSA-N. The full InChI is InChI=1S/C24H17F2N3O4.C23H17FN4O4.2C20H16FN3O5.C17H9F4N3O3/c1-14(15-9-11-18(25)12-10-15)32-24(31)28-22(30)17-6-4-5-16(13-17)21-27-23(33-29-21)19-7-2-3-8-20(19)26;1-14(15-9-11-25-12-10-15)31-23(30)27-21(29)17-6-4-5-16(13-17)20-26-22(32-28-20)18-7-2-3-8-19(18)24;2*21-16-7-2-1-6-15(16)19-22-17(24-29-19)12-4-3-5-13(10-12)18(25)23-20(26)28-14-8-9-27-11-14;18-12-7-2-1-6-11(12)15-22-13(24-27-15)9-4-3-5-10(8-9)14(25)23-16(26)17(19,20)21/h2-14H,1H3,(H,28,30,31);2-14H,1H3,(H,27,29,30);2*1-7,10,14H,8-9,11H2,(H,23,25,26);1-8H,(H,23,25,26)/t;;2*14-;/m..10./s1.

What are the key properties of 1-(4-fluorophenyl)ethyl N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate;3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-N-(2,2,2-trifluoroacetyl)benzamide;[(3S)-oxolan-3-yl] N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate;[(3R)-oxolan-3-yl] N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate;1-pyridin-4-ylethyl N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate?

1-(4-fluorophenyl)ethyl N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate;3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-N-(2,2,2-trifluoroacetyl)benzamide;[(3S)-oxolan-3-yl] N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate;[(3R)-oxolan-3-yl] N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate;1-pyridin-4-ylethyl N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate has a molecular weight of 2055.82 g/mol, XLogP of 19.63, 21 rotatable bonds, 5 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-fluorophenyl)ethyl N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate;3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-N-(2,2,2-trifluoroacetyl)benzamide;[(3S)-oxolan-3-yl] N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate;[(3R)-oxolan-3-yl] N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate;1-pyridin-4-ylethyl N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate is sourced from PubChem (CID 160500198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).