benzene;4-[5-(1,3-benzodioxol-5-yl)-1,2-oxazole-3-carbonyl]-1-phenylpiperazin-2-one;[4-[5-(1,3-benzodioxol-5-yl)-1,2-oxazole-3-carbonyl]piperazin-1-yl]-pyridin-4-ylmethanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone;[5-(1,3-dimethylindazol-6-yl)-1,2-oxazol-3-yl]-piperazin-1-ylmethanone

C107H96F2N18O20 — CID 158921984

About benzene;4-[5-(1,3-benzodioxol-5-yl)-1,2-oxazole-3-carbonyl]-1-phenylpiperazin-2-one;[4-[5-(1,3-benzodioxol-5-yl)-1,2-oxazole-3-carbonyl]piperazin-1-yl]-pyridin-4-ylmethanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone;[5-(1,3-dimethylindazol-6-yl)-1,2-oxazol-3-yl]-piperazin-1-ylmethanone

benzene;4-[5-(1,3-benzodioxol-5-yl)-1,2-oxazole-3-carbonyl]-1-phenylpiperazin-2-one;[4-[5-(1,3-benzodioxol-5-yl)-1,2-oxazole-3-carbonyl]piperazin-1-yl]-pyridin-4-ylmethanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone;[5-(1,3-dimethylindazol-6-yl)-1,2-oxazol-3-yl]-piperazin-1-ylmethanone (PubChem CID 158921984) has the molecular formula C107H96F2N18O20 and a molecular weight of 1992.05 g/mol. Its IUPAC name is benzene;4-[5-(1,3-benzodioxol-5-yl)-1,2-oxazole-3-carbonyl]-1-phenylpiperazin-2-one;[4-[5-(1,3-benzodioxol-5-yl)-1,2-oxazole-3-carbonyl]piperazin-1-yl]-pyridin-4-ylmethanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone;[5-(1,3-dimethylindazol-6-yl)-1,2-oxazol-3-yl]-piperazin-1-ylmethanone.

Molecular Properties

• Compound Name: benzene;4-[5-(1,3-benzodioxol-5-yl)-1,2-oxazole-3-carbonyl]-1-phenylpiperazin-2-one;[4-[5-(1,3-benzodioxol-5-yl)-1,2-oxazole-3-carbonyl]piperazin-1-yl]-pyridin-4-ylmethanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone;[5-(1,3-dimethylindazol-6-yl)-1,2-oxazol-3-yl]-piperazin-1-ylmethanone
• PubChem CID: 158921984
• Molecular Formula: C107H96F2N18O20
• Molecular Weight: 1992.05 g/mol
• Exact Mass: 1990.70
• IUPAC Name: benzene;4-[5-(1,3-benzodioxol-5-yl)-1,2-oxazole-3-carbonyl]-1-phenylpiperazin-2-one;[4-[5-(1,3-benzodioxol-5-yl)-1,2-oxazole-3-carbonyl]piperazin-1-yl]-pyridin-4-ylmethanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone;[5-(1,3-dimethylindazol-6-yl)-1,2-oxazol-3-yl]-piperazin-1-ylmethanone
• SMILES: Cc1nn(C)c2cc(-c3cc(C(=O)N4CCNCC4)no3)ccc12.O=C(c1cc(-c2ccc3c(c2)OCO3)on1)N1CCN(c2ccc(F)cc2)CC1.O=C(c1cc(-c2ccc3c(c2)OCO3)on1)N1CCN(c2ccccc2)C(=O)C1.O=C(c1cc(-c2ccc3c(c2)OCO3)on1)N1CCN(c2ccccc2F)CC1.O=C(c1ccncc1)N1CCN(C(=O)c2cc(-c3ccc4c(c3)OCO4)on2)CC1.c1ccccc1
• InChI: InChI=1S/2C21H18FN3O4.C21H18N4O5.C21H17N3O5.C17H19N5O2.C6H6/c22-15-2-4-16(5-3-15)24-7-9-25(10-8-24)21(26)17-12-19(29-23-17)14-1-6-18-20(11-14)28-13-27-18;22-15-3-1-2-4-17(15)24-7-9-25(10-8-24)21(26)16-12-19(29-23-16)14-5-6-18-20(11-14)28-13-27-18;26-20(14-3-5-22-6-4-14)24-7-9-25(10-8-24)21(27)16-12-18(30-23-16)15-1-2-17-19(11-15)29-13-28-17;25-20-12-23(8-9-24(20)15-4-2-1-3-5-15)21(26)16-11-18(29-22-16)14-6-7-17-19(10-14)28-13-27-17;1-11-13-4-3-12(9-15(13)21(2)19-11)16-10-14(20-24-16)17(23)22-7-5-18-6-8-22;1-2-4-6-5-3-1/h2*1-6,11-12H,7-10,13H2;1-6,11-12H,7-10,13H2;1-7,10-11H,8-9,12-13H2;3-4,9-10,18H,5-8H2,1-2H3;1-6H
• InChIKey: JHYDWLVMDYTITO-UHFFFAOYSA-N
• XLogP: 14.24
• TPSA: 395.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 31
• Rotatable Bonds: 14
• Heavy Atoms: 147
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1992.05
LogP ≤ 5	14.24
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	31

Frequently Asked Questions

What is the IUPAC name of benzene;4-[5-(1,3-benzodioxol-5-yl)-1,2-oxazole-3-carbonyl]-1-phenylpiperazin-2-one;[4-[5-(1,3-benzodioxol-5-yl)-1,2-oxazole-3-carbonyl]piperazin-1-yl]-pyridin-4-ylmethanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone;[5-(1,3-dimethylindazol-6-yl)-1,2-oxazol-3-yl]-piperazin-1-ylmethanone?

The IUPAC name of benzene;4-[5-(1,3-benzodioxol-5-yl)-1,2-oxazole-3-carbonyl]-1-phenylpiperazin-2-one;[4-[5-(1,3-benzodioxol-5-yl)-1,2-oxazole-3-carbonyl]piperazin-1-yl]-pyridin-4-ylmethanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone;[5-(1,3-dimethylindazol-6-yl)-1,2-oxazol-3-yl]-piperazin-1-ylmethanone (CID 158921984) is benzene;4-[5-(1,3-benzodioxol-5-yl)-1,2-oxazole-3-carbonyl]-1-phenylpiperazin-2-one;[4-[5-(1,3-benzodioxol-5-yl)-1,2-oxazole-3-carbonyl]piperazin-1-yl]-pyridin-4-ylmethanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone;[5-(1,3-dimethylindazol-6-yl)-1,2-oxazol-3-yl]-piperazin-1-ylmethanone.

What is the SMILES notation for benzene;4-[5-(1,3-benzodioxol-5-yl)-1,2-oxazole-3-carbonyl]-1-phenylpiperazin-2-one;[4-[5-(1,3-benzodioxol-5-yl)-1,2-oxazole-3-carbonyl]piperazin-1-yl]-pyridin-4-ylmethanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone;[5-(1,3-dimethylindazol-6-yl)-1,2-oxazol-3-yl]-piperazin-1-ylmethanone?

The canonical SMILES for benzene;4-[5-(1,3-benzodioxol-5-yl)-1,2-oxazole-3-carbonyl]-1-phenylpiperazin-2-one;[4-[5-(1,3-benzodioxol-5-yl)-1,2-oxazole-3-carbonyl]piperazin-1-yl]-pyridin-4-ylmethanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone;[5-(1,3-dimethylindazol-6-yl)-1,2-oxazol-3-yl]-piperazin-1-ylmethanone is Cc1nn(C)c2cc(-c3cc(C(=O)N4CCNCC4)no3)ccc12.O=C(c1cc(-c2ccc3c(c2)OCO3)on1)N1CCN(c2ccc(F)cc2)CC1.O=C(c1cc(-c2ccc3c(c2)OCO3)on1)N1CCN(c2ccccc2)C(=O)C1.O=C(c1cc(-c2ccc3c(c2)OCO3)on1)N1CCN(c2ccccc2F)CC1.O=C(c1ccncc1)N1CCN(C(=O)c2cc(-c3ccc4c(c3)OCO4)on2)CC1.c1ccccc1.

What is the InChIKey of benzene;4-[5-(1,3-benzodioxol-5-yl)-1,2-oxazole-3-carbonyl]-1-phenylpiperazin-2-one;[4-[5-(1,3-benzodioxol-5-yl)-1,2-oxazole-3-carbonyl]piperazin-1-yl]-pyridin-4-ylmethanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone;[5-(1,3-dimethylindazol-6-yl)-1,2-oxazol-3-yl]-piperazin-1-ylmethanone?

The InChIKey is JHYDWLVMDYTITO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C21H18FN3O4.C21H18N4O5.C21H17N3O5.C17H19N5O2.C6H6/c22-15-2-4-16(5-3-15)24-7-9-25(10-8-24)21(26)17-12-19(29-23-17)14-1-6-18-20(11-14)28-13-27-18;22-15-3-1-2-4-17(15)24-7-9-25(10-8-24)21(26)16-12-19(29-23-16)14-5-6-18-20(11-14)28-13-27-18;26-20(14-3-5-22-6-4-14)24-7-9-25(10-8-24)21(27)16-12-18(30-23-16)15-1-2-17-19(11-15)29-13-28-17;25-20-12-23(8-9-24(20)15-4-2-1-3-5-15)21(26)16-11-18(29-22-16)14-6-7-17-19(10-14)28-13-27-17;1-11-13-4-3-12(9-15(13)21(2)19-11)16-10-14(20-24-16)17(23)22-7-5-18-6-8-22;1-2-4-6-5-3-1/h2*1-6,11-12H,7-10,13H2;1-6,11-12H,7-10,13H2;1-7,10-11H,8-9,12-13H2;3-4,9-10,18H,5-8H2,1-2H3;1-6H.

What are the key properties of benzene;4-[5-(1,3-benzodioxol-5-yl)-1,2-oxazole-3-carbonyl]-1-phenylpiperazin-2-one;[4-[5-(1,3-benzodioxol-5-yl)-1,2-oxazole-3-carbonyl]piperazin-1-yl]-pyridin-4-ylmethanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone;[5-(1,3-dimethylindazol-6-yl)-1,2-oxazol-3-yl]-piperazin-1-ylmethanone?

benzene;4-[5-(1,3-benzodioxol-5-yl)-1,2-oxazole-3-carbonyl]-1-phenylpiperazin-2-one;[4-[5-(1,3-benzodioxol-5-yl)-1,2-oxazole-3-carbonyl]piperazin-1-yl]-pyridin-4-ylmethanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone;[5-(1,3-dimethylindazol-6-yl)-1,2-oxazol-3-yl]-piperazin-1-ylmethanone has a molecular weight of 1992.05 g/mol, XLogP of 14.24, 14 rotatable bonds, 1 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for benzene;4-[5-(1,3-benzodioxol-5-yl)-1,2-oxazole-3-carbonyl]-1-phenylpiperazin-2-one;[4-[5-(1,3-benzodioxol-5-yl)-1,2-oxazole-3-carbonyl]piperazin-1-yl]-pyridin-4-ylmethanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone;[5-(1,3-dimethylindazol-6-yl)-1,2-oxazol-3-yl]-piperazin-1-ylmethanone is sourced from PubChem (CID 158921984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).