1-[5-(1,3-benzodioxol-5-yl)-1,2-oxazole-3-carbonyl]-N-phenylpyrrolidine-2-carboxamide;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[2-(2-fluoro-4-methoxyphenyl)pyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[2-(2-fluoro-6-methoxyphenyl)pyrrolidin-1-yl]methanone;[6-(2-methylpyrazol-3-yl)-1,2-benzoxazol-3-yl]-[(2S)-2-phenylpyrrolidin-1-yl]methanone;3-[(2S)-2-phenylpyrrolidine-1-carbonyl]-1,2-benzoxazole-6-carbonitrile;5-[3-[(2S)-2-phenylpyrrolidine-1-carbonyl]-1,2-oxazol-5-yl]-1H-pyridin-2-one

C126H109F2N17O22 — CID 160738221

About 1-[5-(1,3-benzodioxol-5-yl)-1,2-oxazole-3-carbonyl]-N-phenylpyrrolidine-2-carboxamide;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[2-(2-fluoro-4-methoxyphenyl)pyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[2-(2-fluoro-6-methoxyphenyl)pyrrolidin-1-yl]methanone;[6-(2-methylpyrazol-3-yl)-1,2-benzoxazol-3-yl]-[(2S)-2-phenylpyrrolidin-1-yl]methanone;3-[(2S)-2-phenylpyrrolidine-1-carbonyl]-1,2-benzoxazole-6-carbonitrile;5-[3-[(2S)-2-phenylpyrrolidine-1-carbonyl]-1,2-oxazol-5-yl]-1H-pyridin-2-one

1-[5-(1,3-benzodioxol-5-yl)-1,2-oxazole-3-carbonyl]-N-phenylpyrrolidine-2-carboxamide;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[2-(2-fluoro-4-methoxyphenyl)pyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[2-(2-fluoro-6-methoxyphenyl)pyrrolidin-1-yl]methanone;[6-(2-methylpyrazol-3-yl)-1,2-benzoxazol-3-yl]-[(2S)-2-phenylpyrrolidin-1-yl]methanone;3-[(2S)-2-phenylpyrrolidine-1-carbonyl]-1,2-benzoxazole-6-carbonitrile;5-[3-[(2S)-2-phenylpyrrolidine-1-carbonyl]-1,2-oxazol-5-yl]-1H-pyridin-2-one (PubChem CID 160738221) has the molecular formula C126H109F2N17O22 and a molecular weight of 2251.35 g/mol. Its IUPAC name is 1-[5-(1,3-benzodioxol-5-yl)-1,2-oxazole-3-carbonyl]-N-phenylpyrrolidine-2-carboxamide;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[2-(2-fluoro-4-methoxyphenyl)pyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[2-(2-fluoro-6-methoxyphenyl)pyrrolidin-1-yl]methanone;[6-(2-methylpyrazol-3-yl)-1,2-benzoxazol-3-yl]-[(2S)-2-phenylpyrrolidin-1-yl]methanone;3-[(2S)-2-phenylpyrrolidine-1-carbonyl]-1,2-benzoxazole-6-carbonitrile;5-[3-[(2S)-2-phenylpyrrolidine-1-carbonyl]-1,2-oxazol-5-yl]-1H-pyridin-2-one.

Molecular Properties

• Compound Name: 1-[5-(1,3-benzodioxol-5-yl)-1,2-oxazole-3-carbonyl]-N-phenylpyrrolidine-2-carboxamide;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[2-(2-fluoro-4-methoxyphenyl)pyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[2-(2-fluoro-6-methoxyphenyl)pyrrolidin-1-yl]methanone;[6-(2-methylpyrazol-3-yl)-1,2-benzoxazol-3-yl]-[(2S)-2-phenylpyrrolidin-1-yl]methanone;3-[(2S)-2-phenylpyrrolidine-1-carbonyl]-1,2-benzoxazole-6-carbonitrile;5-[3-[(2S)-2-phenylpyrrolidine-1-carbonyl]-1,2-oxazol-5-yl]-1H-pyridin-2-one
• PubChem CID: 160738221
• Molecular Formula: C126H109F2N17O22
• Molecular Weight: 2251.35 g/mol
• Exact Mass: 2249.79
• IUPAC Name: 1-[5-(1,3-benzodioxol-5-yl)-1,2-oxazole-3-carbonyl]-N-phenylpyrrolidine-2-carboxamide;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[2-(2-fluoro-4-methoxyphenyl)pyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[2-(2-fluoro-6-methoxyphenyl)pyrrolidin-1-yl]methanone;[6-(2-methylpyrazol-3-yl)-1,2-benzoxazol-3-yl]-[(2S)-2-phenylpyrrolidin-1-yl]methanone;3-[(2S)-2-phenylpyrrolidine-1-carbonyl]-1,2-benzoxazole-6-carbonitrile;5-[3-[(2S)-2-phenylpyrrolidine-1-carbonyl]-1,2-oxazol-5-yl]-1H-pyridin-2-one
• SMILES: COc1ccc(C2CCCN2C(=O)c2cc(-c3ccc4c(c3)OCO4)on2)c(F)c1.COc1cccc(F)c1C1CCCN1C(=O)c1cc(-c2ccc3c(c2)OCO3)on1.Cn1nccc1-c1ccc2c(C(=O)N3CCC[C@H]3c3ccccc3)noc2c1.N#Cc1ccc2c(C(=O)N3CCC[C@H]3c3ccccc3)noc2c1.O=C(Nc1ccccc1)C1CCCN1C(=O)c1cc(-c2ccc3c(c2)OCO3)on1.O=C(c1cc(-c2ccc(=O)[nH]c2)on1)N1CCC[C@H]1c1ccccc1
• InChI: InChI=1S/2C22H19FN2O5.C22H20N4O2.C22H19N3O5.C19H17N3O3.C19H15N3O2/c1-27-18-6-2-4-14(23)21(18)16-5-3-9-25(16)22(26)15-11-19(30-24-15)13-7-8-17-20(10-13)29-12-28-17;1-27-14-5-6-15(16(23)10-14)18-3-2-8-25(18)22(26)17-11-20(30-24-17)13-4-7-19-21(9-13)29-12-28-19;1-25-18(11-12-23-25)16-9-10-17-20(14-16)28-24-21(17)22(27)26-13-5-8-19(26)15-6-3-2-4-7-15;26-21(23-15-5-2-1-3-6-15)17-7-4-10-25(17)22(27)16-12-19(30-24-16)14-8-9-18-20(11-14)29-13-28-18;23-18-9-8-14(12-20-18)17-11-15(21-25-17)19(24)22-10-4-7-16(22)13-5-2-1-3-6-13;20-12-13-8-9-15-17(11-13)24-21-18(15)19(23)22-10-4-7-16(22)14-5-2-1-3-6-14/h2,4,6-8,10-11,16H,3,5,9,12H2,1H3;4-7,9-11,18H,2-3,8,12H2,1H3;2-4,6-7,9-12,14,19H,5,8,13H2,1H3;1-3,5-6,8-9,11-12,17H,4,7,10,13H2,(H,23,26);1-3,5-6,8-9,11-12,16H,4,7,10H2,(H,20,23);1-3,5-6,8-9,11,16H,4,7,10H2/t;;19-;;2*16-/m..0.00/s1
• InChIKey: RVFQAICEHKVQHN-WMDVJCGESA-N
• XLogP: 22.59
• TPSA: 455.45 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 31
• Rotatable Bonds: 20
• Heavy Atoms: 167
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2251.35
LogP ≤ 5	22.59
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	31

Frequently Asked Questions

What is the IUPAC name of 1-[5-(1,3-benzodioxol-5-yl)-1,2-oxazole-3-carbonyl]-N-phenylpyrrolidine-2-carboxamide;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[2-(2-fluoro-4-methoxyphenyl)pyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[2-(2-fluoro-6-methoxyphenyl)pyrrolidin-1-yl]methanone;[6-(2-methylpyrazol-3-yl)-1,2-benzoxazol-3-yl]-[(2S)-2-phenylpyrrolidin-1-yl]methanone;3-[(2S)-2-phenylpyrrolidine-1-carbonyl]-1,2-benzoxazole-6-carbonitrile;5-[3-[(2S)-2-phenylpyrrolidine-1-carbonyl]-1,2-oxazol-5-yl]-1H-pyridin-2-one?

The IUPAC name of 1-[5-(1,3-benzodioxol-5-yl)-1,2-oxazole-3-carbonyl]-N-phenylpyrrolidine-2-carboxamide;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[2-(2-fluoro-4-methoxyphenyl)pyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[2-(2-fluoro-6-methoxyphenyl)pyrrolidin-1-yl]methanone;[6-(2-methylpyrazol-3-yl)-1,2-benzoxazol-3-yl]-[(2S)-2-phenylpyrrolidin-1-yl]methanone;3-[(2S)-2-phenylpyrrolidine-1-carbonyl]-1,2-benzoxazole-6-carbonitrile;5-[3-[(2S)-2-phenylpyrrolidine-1-carbonyl]-1,2-oxazol-5-yl]-1H-pyridin-2-one (CID 160738221) is 1-[5-(1,3-benzodioxol-5-yl)-1,2-oxazole-3-carbonyl]-N-phenylpyrrolidine-2-carboxamide;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[2-(2-fluoro-4-methoxyphenyl)pyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[2-(2-fluoro-6-methoxyphenyl)pyrrolidin-1-yl]methanone;[6-(2-methylpyrazol-3-yl)-1,2-benzoxazol-3-yl]-[(2S)-2-phenylpyrrolidin-1-yl]methanone;3-[(2S)-2-phenylpyrrolidine-1-carbonyl]-1,2-benzoxazole-6-carbonitrile;5-[3-[(2S)-2-phenylpyrrolidine-1-carbonyl]-1,2-oxazol-5-yl]-1H-pyridin-2-one.

What is the SMILES notation for 1-[5-(1,3-benzodioxol-5-yl)-1,2-oxazole-3-carbonyl]-N-phenylpyrrolidine-2-carboxamide;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[2-(2-fluoro-4-methoxyphenyl)pyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[2-(2-fluoro-6-methoxyphenyl)pyrrolidin-1-yl]methanone;[6-(2-methylpyrazol-3-yl)-1,2-benzoxazol-3-yl]-[(2S)-2-phenylpyrrolidin-1-yl]methanone;3-[(2S)-2-phenylpyrrolidine-1-carbonyl]-1,2-benzoxazole-6-carbonitrile;5-[3-[(2S)-2-phenylpyrrolidine-1-carbonyl]-1,2-oxazol-5-yl]-1H-pyridin-2-one?

The canonical SMILES for 1-[5-(1,3-benzodioxol-5-yl)-1,2-oxazole-3-carbonyl]-N-phenylpyrrolidine-2-carboxamide;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[2-(2-fluoro-4-methoxyphenyl)pyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[2-(2-fluoro-6-methoxyphenyl)pyrrolidin-1-yl]methanone;[6-(2-methylpyrazol-3-yl)-1,2-benzoxazol-3-yl]-[(2S)-2-phenylpyrrolidin-1-yl]methanone;3-[(2S)-2-phenylpyrrolidine-1-carbonyl]-1,2-benzoxazole-6-carbonitrile;5-[3-[(2S)-2-phenylpyrrolidine-1-carbonyl]-1,2-oxazol-5-yl]-1H-pyridin-2-one is COc1ccc(C2CCCN2C(=O)c2cc(-c3ccc4c(c3)OCO4)on2)c(F)c1.COc1cccc(F)c1C1CCCN1C(=O)c1cc(-c2ccc3c(c2)OCO3)on1.Cn1nccc1-c1ccc2c(C(=O)N3CCC[C@H]3c3ccccc3)noc2c1.N#Cc1ccc2c(C(=O)N3CCC[C@H]3c3ccccc3)noc2c1.O=C(Nc1ccccc1)C1CCCN1C(=O)c1cc(-c2ccc3c(c2)OCO3)on1.O=C(c1cc(-c2ccc(=O)[nH]c2)on1)N1CCC[C@H]1c1ccccc1.

What is the InChIKey of 1-[5-(1,3-benzodioxol-5-yl)-1,2-oxazole-3-carbonyl]-N-phenylpyrrolidine-2-carboxamide;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[2-(2-fluoro-4-methoxyphenyl)pyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[2-(2-fluoro-6-methoxyphenyl)pyrrolidin-1-yl]methanone;[6-(2-methylpyrazol-3-yl)-1,2-benzoxazol-3-yl]-[(2S)-2-phenylpyrrolidin-1-yl]methanone;3-[(2S)-2-phenylpyrrolidine-1-carbonyl]-1,2-benzoxazole-6-carbonitrile;5-[3-[(2S)-2-phenylpyrrolidine-1-carbonyl]-1,2-oxazol-5-yl]-1H-pyridin-2-one?

The InChIKey is RVFQAICEHKVQHN-WMDVJCGESA-N. The full InChI is InChI=1S/2C22H19FN2O5.C22H20N4O2.C22H19N3O5.C19H17N3O3.C19H15N3O2/c1-27-18-6-2-4-14(23)21(18)16-5-3-9-25(16)22(26)15-11-19(30-24-15)13-7-8-17-20(10-13)29-12-28-17;1-27-14-5-6-15(16(23)10-14)18-3-2-8-25(18)22(26)17-11-20(30-24-17)13-4-7-19-21(9-13)29-12-28-19;1-25-18(11-12-23-25)16-9-10-17-20(14-16)28-24-21(17)22(27)26-13-5-8-19(26)15-6-3-2-4-7-15;26-21(23-15-5-2-1-3-6-15)17-7-4-10-25(17)22(27)16-12-19(30-24-16)14-8-9-18-20(11-14)29-13-28-18;23-18-9-8-14(12-20-18)17-11-15(21-25-17)19(24)22-10-4-7-16(22)13-5-2-1-3-6-13;20-12-13-8-9-15-17(11-13)24-21-18(15)19(23)22-10-4-7-16(22)14-5-2-1-3-6-14/h2,4,6-8,10-11,16H,3,5,9,12H2,1H3;4-7,9-11,18H,2-3,8,12H2,1H3;2-4,6-7,9-12,14,19H,5,8,13H2,1H3;1-3,5-6,8-9,11-12,17H,4,7,10,13H2,(H,23,26);1-3,5-6,8-9,11-12,16H,4,7,10H2,(H,20,23);1-3,5-6,8-9,11,16H,4,7,10H2/t;;19-;;2*16-/m..0.00/s1.

What are the key properties of 1-[5-(1,3-benzodioxol-5-yl)-1,2-oxazole-3-carbonyl]-N-phenylpyrrolidine-2-carboxamide;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[2-(2-fluoro-4-methoxyphenyl)pyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[2-(2-fluoro-6-methoxyphenyl)pyrrolidin-1-yl]methanone;[6-(2-methylpyrazol-3-yl)-1,2-benzoxazol-3-yl]-[(2S)-2-phenylpyrrolidin-1-yl]methanone;3-[(2S)-2-phenylpyrrolidine-1-carbonyl]-1,2-benzoxazole-6-carbonitrile;5-[3-[(2S)-2-phenylpyrrolidine-1-carbonyl]-1,2-oxazol-5-yl]-1H-pyridin-2-one?

1-[5-(1,3-benzodioxol-5-yl)-1,2-oxazole-3-carbonyl]-N-phenylpyrrolidine-2-carboxamide;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[2-(2-fluoro-4-methoxyphenyl)pyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[2-(2-fluoro-6-methoxyphenyl)pyrrolidin-1-yl]methanone;[6-(2-methylpyrazol-3-yl)-1,2-benzoxazol-3-yl]-[(2S)-2-phenylpyrrolidin-1-yl]methanone;3-[(2S)-2-phenylpyrrolidine-1-carbonyl]-1,2-benzoxazole-6-carbonitrile;5-[3-[(2S)-2-phenylpyrrolidine-1-carbonyl]-1,2-oxazol-5-yl]-1H-pyridin-2-one has a molecular weight of 2251.35 g/mol, XLogP of 22.59, 20 rotatable bonds, 2 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-(1,3-benzodioxol-5-yl)-1,2-oxazole-3-carbonyl]-N-phenylpyrrolidine-2-carboxamide;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[2-(2-fluoro-4-methoxyphenyl)pyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[2-(2-fluoro-6-methoxyphenyl)pyrrolidin-1-yl]methanone;[6-(2-methylpyrazol-3-yl)-1,2-benzoxazol-3-yl]-[(2S)-2-phenylpyrrolidin-1-yl]methanone;3-[(2S)-2-phenylpyrrolidine-1-carbonyl]-1,2-benzoxazole-6-carbonitrile;5-[3-[(2S)-2-phenylpyrrolidine-1-carbonyl]-1,2-oxazol-5-yl]-1H-pyridin-2-one is sourced from PubChem (CID 160738221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).