[5-(2-chlorophenyl)-1,2-oxazol-4-yl]-(3-phenylpyrrolidin-1-yl)methanone;3,4-dihydro-1H-isoquinolin-2-yl-[5-(4-methylphenyl)-1,2-oxazol-4-yl]methanone;[5-(4-methoxyphenyl)-1,2-oxazol-4-yl]-(3-phenylpyrrolidin-1-yl)methanone;[5-(3-methylphenyl)-1,2-oxazol-4-yl]-(3-phenylpyrrolidin-1-yl)methanone;[5-(4-methylphenyl)-1,2-oxazol-4-yl]-(3-pyridin-3-ylpyrrolidin-1-yl)methanone;(3-pyridin-3-ylpyrrolidin-1-yl)-[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methanone

C122H110ClF3N14O13 — CID 162202133

IUPAC[5-(2-chlorophenyl)-1,2-oxazol-4-yl]-(3-phenylpyrrolidin-1-yl)methanone;3,4-dihydro-1H-isoquinolin-2-yl-[5-(4-methylphenyl)-1,2-oxazol-4-yl]methanone;[5-(4-methoxyphenyl)-1,2-oxazol-4-yl]-(3-phenylpyrrolidin-1-yl)methanone;[5-(3-methylphenyl)-1,2-oxazol-4-yl]-(3-phenylpyrrolidin-1-yl)methanone;[5-(4-methylphenyl)-1,2-oxazol-4-yl]-(3-pyridin-3-ylpyrrolidin-1-yl)methanone;(3-pyridin-3-ylpyrrolidin-1-yl)-[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methanone
SMILESCOc1ccc(-c2oncc2C(=O)N2CCC(c3ccccc3)C2)cc1.Cc1ccc(-c2oncc2C(=O)N2CCC(c3cccnc3)C2)cc1.Cc1ccc(-c2oncc2C(=O)N2CCc3ccccc3C2)cc1.Cc1cccc(-c2oncc2C(=O)N2CCC(c3ccccc3)C2)c1.O=C(c1cnoc1-c1ccc(C(F)(F)F)cc1)N1CCC(c2cccnc2)C1.O=C(c1cnoc1-c1ccccc1Cl)N1CCC(c2ccccc2)C1
InChIInChI=1S/C21H20N2O3.C21H20N2O2.C20H17ClN2O2.C20H16F3N3O2.C20H19N3O2.C20H18N2O2/c1-25-18-9-7-16(8-10-18)20-19(13-22-26-20)21(24)23-12-11-17(14-23)15-5-3-2-4-6-15;1-15-6-5-9-17(12-15)20-19(13-22-25-20)21(24)23-11-10-18(14-23)16-7-3-2-4-8-16;21-18-9-5-4-8-16(18)19-17(12-22-25-19)20(24)23-11-10-15(13-23)14-6-2-1-3-7-14;21-20(22,23)16-5-3-13(4-6-16)18-17(11-25-28-18)19(27)26-9-7-15(12-26)14-2-1-8-24-10-14;1-14-4-6-15(7-5-14)19-18(12-22-25-19)20(24)23-10-8-17(13-23)16-3-2-9-21-11-16;1-14-6-8-16(9-7-14)19-18(12-21-24-19)20(23)22-11-10-15-4-2-3-5-17(15)13-22/h2-10,13,17H,11-12,14H2,1H3;2-9,12-13,18H,10-11,14H2,1H3;1-9,12,15H,10-11,13H2;1-6,8,10-11,15H,7,9,12H2;2-7,9,11-12,17H,8,10,13H2,1H3;2-9,12H,10-11,13H2,1H3
InChIKeyZRSLQVZQHLKTPK-UHFFFAOYSA-N
MW2072.75 g/mol
LogP24.79
Rot. Bonds18

About [5-(2-chlorophenyl)-1,2-oxazol-4-yl]-(3-phenylpyrrolidin-1-yl)methanone;3,4-dihydro-1H-isoquinolin-2-yl-[5-(4-methylphenyl)-1,2-oxazol-4-yl]methanone;[5-(4-methoxyphenyl)-1,2-oxazol-4-yl]-(3-phenylpyrrolidin-1-yl)methanone;[5-(3-methylphenyl)-1,2-oxazol-4-yl]-(3-phenylpyrrolidin-1-yl)methanone;[5-(4-methylphenyl)-1,2-oxazol-4-yl]-(3-pyridin-3-ylpyrrolidin-1-yl)methanone;(3-pyridin-3-ylpyrrolidin-1-yl)-[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methanone

[5-(2-chlorophenyl)-1,2-oxazol-4-yl]-(3-phenylpyrrolidin-1-yl)methanone;3,4-dihydro-1H-isoquinolin-2-yl-[5-(4-methylphenyl)-1,2-oxazol-4-yl]methanone;[5-(4-methoxyphenyl)-1,2-oxazol-4-yl]-(3-phenylpyrrolidin-1-yl)methanone;[5-(3-methylphenyl)-1,2-oxazol-4-yl]-(3-phenylpyrrolidin-1-yl)methanone;[5-(4-methylphenyl)-1,2-oxazol-4-yl]-(3-pyridin-3-ylpyrrolidin-1-yl)methanone;(3-pyridin-3-ylpyrrolidin-1-yl)-[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methanone (PubChem CID 162202133) has the molecular formula C122H110ClF3N14O13 and a molecular weight of 2072.75 g/mol. Its IUPAC name is [5-(2-chlorophenyl)-1,2-oxazol-4-yl]-(3-phenylpyrrolidin-1-yl)methanone;3,4-dihydro-1H-isoquinolin-2-yl-[5-(4-methylphenyl)-1,2-oxazol-4-yl]methanone;[5-(4-methoxyphenyl)-1,2-oxazol-4-yl]-(3-phenylpyrrolidin-1-yl)methanone;[5-(3-methylphenyl)-1,2-oxazol-4-yl]-(3-phenylpyrrolidin-1-yl)methanone;[5-(4-methylphenyl)-1,2-oxazol-4-yl]-(3-pyridin-3-ylpyrrolidin-1-yl)methanone;(3-pyridin-3-ylpyrrolidin-1-yl)-[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methanone.

Molecular Properties

Compound Name[5-(2-chlorophenyl)-1,2-oxazol-4-yl]-(3-phenylpyrrolidin-1-yl)methanone;3,4-dihydro-1H-isoquinolin-2-yl-[5-(4-methylphenyl)-1,2-oxazol-4-yl]methanone;[5-(4-methoxyphenyl)-1,2-oxazol-4-yl]-(3-phenylpyrrolidin-1-yl)methanone;[5-(3-methylphenyl)-1,2-oxazol-4-yl]-(3-phenylpyrrolidin-1-yl)methanone;[5-(4-methylphenyl)-1,2-oxazol-4-yl]-(3-pyridin-3-ylpyrrolidin-1-yl)methanone;(3-pyridin-3-ylpyrrolidin-1-yl)-[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methanone
PubChem CID162202133
Molecular FormulaC122H110ClF3N14O13
Molecular Weight2072.75 g/mol
Exact Mass2070.80
IUPAC Name[5-(2-chlorophenyl)-1,2-oxazol-4-yl]-(3-phenylpyrrolidin-1-yl)methanone;3,4-dihydro-1H-isoquinolin-2-yl-[5-(4-methylphenyl)-1,2-oxazol-4-yl]methanone;[5-(4-methoxyphenyl)-1,2-oxazol-4-yl]-(3-phenylpyrrolidin-1-yl)methanone;[5-(3-methylphenyl)-1,2-oxazol-4-yl]-(3-phenylpyrrolidin-1-yl)methanone;[5-(4-methylphenyl)-1,2-oxazol-4-yl]-(3-pyridin-3-ylpyrrolidin-1-yl)methanone;(3-pyridin-3-ylpyrrolidin-1-yl)-[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methanone
SMILESCOc1ccc(-c2oncc2C(=O)N2CCC(c3ccccc3)C2)cc1.Cc1ccc(-c2oncc2C(=O)N2CCC(c3cccnc3)C2)cc1.Cc1ccc(-c2oncc2C(=O)N2CCc3ccccc3C2)cc1.Cc1cccc(-c2oncc2C(=O)N2CCC(c3ccccc3)C2)c1.O=C(c1cnoc1-c1ccc(C(F)(F)F)cc1)N1CCC(c2cccnc2)C1.O=C(c1cnoc1-c1ccccc1Cl)N1CCC(c2ccccc2)C1
InChIInChI=1S/C21H20N2O3.C21H20N2O2.C20H17ClN2O2.C20H16F3N3O2.C20H19N3O2.C20H18N2O2/c1-25-18-9-7-16(8-10-18)20-19(13-22-26-20)21(24)23-12-11-17(14-23)15-5-3-2-4-6-15;1-15-6-5-9-17(12-15)20-19(13-22-25-20)21(24)23-11-10-18(14-23)16-7-3-2-4-8-16;21-18-9-5-4-8-16(18)19-17(12-22-25-19)20(24)23-11-10-15(13-23)14-6-2-1-3-7-14;21-20(22,23)16-5-3-13(4-6-16)18-17(11-25-28-18)19(27)26-9-7-15(12-26)14-2-1-8-24-10-14;1-14-4-6-15(7-5-14)19-18(12-22-25-19)20(24)23-10-8-17(13-23)16-3-2-9-21-11-16;1-14-6-8-16(9-7-14)19-18(12-21-24-19)20(23)22-11-10-15-4-2-3-5-17(15)13-22/h2-10,13,17H,11-12,14H2,1H3;2-9,12-13,18H,10-11,14H2,1H3;1-9,12,15H,10-11,13H2;1-6,8,10-11,15H,7,9,12H2;2-7,9,11-12,17H,8,10,13H2,1H3;2-9,12H,10-11,13H2,1H3
InChIKeyZRSLQVZQHLKTPK-UHFFFAOYSA-N
XLogP24.79
TPSA313.05 Ų
H-Bond Donors
H-Bond Acceptors21
Rotatable Bonds18
Heavy Atoms153
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002072.75
LogP ≤ 524.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1021

Analyze [5-(2-chlorophenyl)-1,2-oxazol-4-yl]-(3-phenylpyrrolidin-1-yl)methanone;3,4-dihydro-1H-isoquinolin-2-yl-[5-(4-methylphenyl)-1,2-oxazol-4-yl]methanone;[5-(4-methoxyphenyl)-1,2-oxazol-4-yl]-(3-phenylpyrrolidin-1-yl)methanone;[5-(3-methylphenyl)-1,2-oxazol-4-yl]-(3-phenylpyrrolidin-1-yl)methanone;[5-(4-methylphenyl)-1,2-oxazol-4-yl]-(3-pyridin-3-ylpyrrolidin-1-yl)methanone;(3-pyridin-3-ylpyrrolidin-1-yl)-[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [5-(2-chlorophenyl)-1,2-oxazol-4-yl]-(3-phenylpyrrolidin-1-yl)methanone;3,4-dihydro-1H-isoquinolin-2-yl-[5-(4-methylphenyl)-1,2-oxazol-4-yl]methanone;[5-(4-methoxyphenyl)-1,2-oxazol-4-yl]-(3-phenylpyrrolidin-1-yl)methanone;[5-(3-methylphenyl)-1,2-oxazol-4-yl]-(3-phenylpyrrolidin-1-yl)methanone;[5-(4-methylphenyl)-1,2-oxazol-4-yl]-(3-pyridin-3-ylpyrrolidin-1-yl)methanone;(3-pyridin-3-ylpyrrolidin-1-yl)-[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methanone?
The IUPAC name of [5-(2-chlorophenyl)-1,2-oxazol-4-yl]-(3-phenylpyrrolidin-1-yl)methanone;3,4-dihydro-1H-isoquinolin-2-yl-[5-(4-methylphenyl)-1,2-oxazol-4-yl]methanone;[5-(4-methoxyphenyl)-1,2-oxazol-4-yl]-(3-phenylpyrrolidin-1-yl)methanone;[5-(3-methylphenyl)-1,2-oxazol-4-yl]-(3-phenylpyrrolidin-1-yl)methanone;[5-(4-methylphenyl)-1,2-oxazol-4-yl]-(3-pyridin-3-ylpyrrolidin-1-yl)methanone;(3-pyridin-3-ylpyrrolidin-1-yl)-[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methanone (CID 162202133) is [5-(2-chlorophenyl)-1,2-oxazol-4-yl]-(3-phenylpyrrolidin-1-yl)methanone;3,4-dihydro-1H-isoquinolin-2-yl-[5-(4-methylphenyl)-1,2-oxazol-4-yl]methanone;[5-(4-methoxyphenyl)-1,2-oxazol-4-yl]-(3-phenylpyrrolidin-1-yl)methanone;[5-(3-methylphenyl)-1,2-oxazol-4-yl]-(3-phenylpyrrolidin-1-yl)methanone;[5-(4-methylphenyl)-1,2-oxazol-4-yl]-(3-pyridin-3-ylpyrrolidin-1-yl)methanone;(3-pyridin-3-ylpyrrolidin-1-yl)-[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methanone.
What is the SMILES notation for [5-(2-chlorophenyl)-1,2-oxazol-4-yl]-(3-phenylpyrrolidin-1-yl)methanone;3,4-dihydro-1H-isoquinolin-2-yl-[5-(4-methylphenyl)-1,2-oxazol-4-yl]methanone;[5-(4-methoxyphenyl)-1,2-oxazol-4-yl]-(3-phenylpyrrolidin-1-yl)methanone;[5-(3-methylphenyl)-1,2-oxazol-4-yl]-(3-phenylpyrrolidin-1-yl)methanone;[5-(4-methylphenyl)-1,2-oxazol-4-yl]-(3-pyridin-3-ylpyrrolidin-1-yl)methanone;(3-pyridin-3-ylpyrrolidin-1-yl)-[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methanone?
The canonical SMILES for [5-(2-chlorophenyl)-1,2-oxazol-4-yl]-(3-phenylpyrrolidin-1-yl)methanone;3,4-dihydro-1H-isoquinolin-2-yl-[5-(4-methylphenyl)-1,2-oxazol-4-yl]methanone;[5-(4-methoxyphenyl)-1,2-oxazol-4-yl]-(3-phenylpyrrolidin-1-yl)methanone;[5-(3-methylphenyl)-1,2-oxazol-4-yl]-(3-phenylpyrrolidin-1-yl)methanone;[5-(4-methylphenyl)-1,2-oxazol-4-yl]-(3-pyridin-3-ylpyrrolidin-1-yl)methanone;(3-pyridin-3-ylpyrrolidin-1-yl)-[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methanone is COc1ccc(-c2oncc2C(=O)N2CCC(c3ccccc3)C2)cc1.Cc1ccc(-c2oncc2C(=O)N2CCC(c3cccnc3)C2)cc1.Cc1ccc(-c2oncc2C(=O)N2CCc3ccccc3C2)cc1.Cc1cccc(-c2oncc2C(=O)N2CCC(c3ccccc3)C2)c1.O=C(c1cnoc1-c1ccc(C(F)(F)F)cc1)N1CCC(c2cccnc2)C1.O=C(c1cnoc1-c1ccccc1Cl)N1CCC(c2ccccc2)C1.
What is the InChIKey of [5-(2-chlorophenyl)-1,2-oxazol-4-yl]-(3-phenylpyrrolidin-1-yl)methanone;3,4-dihydro-1H-isoquinolin-2-yl-[5-(4-methylphenyl)-1,2-oxazol-4-yl]methanone;[5-(4-methoxyphenyl)-1,2-oxazol-4-yl]-(3-phenylpyrrolidin-1-yl)methanone;[5-(3-methylphenyl)-1,2-oxazol-4-yl]-(3-phenylpyrrolidin-1-yl)methanone;[5-(4-methylphenyl)-1,2-oxazol-4-yl]-(3-pyridin-3-ylpyrrolidin-1-yl)methanone;(3-pyridin-3-ylpyrrolidin-1-yl)-[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methanone?
The InChIKey is ZRSLQVZQHLKTPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3.C21H20N2O2.C20H17ClN2O2.C20H16F3N3O2.C20H19N3O2.C20H18N2O2/c1-25-18-9-7-16(8-10-18)20-19(13-22-26-20)21(24)23-12-11-17(14-23)15-5-3-2-4-6-15;1-15-6-5-9-17(12-15)20-19(13-22-25-20)21(24)23-11-10-18(14-23)16-7-3-2-4-8-16;21-18-9-5-4-8-16(18)19-17(12-22-25-19)20(24)23-11-10-15(13-23)14-6-2-1-3-7-14;21-20(22,23)16-5-3-13(4-6-16)18-17(11-25-28-18)19(27)26-9-7-15(12-26)14-2-1-8-24-10-14;1-14-4-6-15(7-5-14)19-18(12-22-25-19)20(24)23-10-8-17(13-23)16-3-2-9-21-11-16;1-14-6-8-16(9-7-14)19-18(12-21-24-19)20(23)22-11-10-15-4-2-3-5-17(15)13-22/h2-10,13,17H,11-12,14H2,1H3;2-9,12-13,18H,10-11,14H2,1H3;1-9,12,15H,10-11,13H2;1-6,8,10-11,15H,7,9,12H2;2-7,9,11-12,17H,8,10,13H2,1H3;2-9,12H,10-11,13H2,1H3.
What are the key properties of [5-(2-chlorophenyl)-1,2-oxazol-4-yl]-(3-phenylpyrrolidin-1-yl)methanone;3,4-dihydro-1H-isoquinolin-2-yl-[5-(4-methylphenyl)-1,2-oxazol-4-yl]methanone;[5-(4-methoxyphenyl)-1,2-oxazol-4-yl]-(3-phenylpyrrolidin-1-yl)methanone;[5-(3-methylphenyl)-1,2-oxazol-4-yl]-(3-phenylpyrrolidin-1-yl)methanone;[5-(4-methylphenyl)-1,2-oxazol-4-yl]-(3-pyridin-3-ylpyrrolidin-1-yl)methanone;(3-pyridin-3-ylpyrrolidin-1-yl)-[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methanone?
[5-(2-chlorophenyl)-1,2-oxazol-4-yl]-(3-phenylpyrrolidin-1-yl)methanone;3,4-dihydro-1H-isoquinolin-2-yl-[5-(4-methylphenyl)-1,2-oxazol-4-yl]methanone;[5-(4-methoxyphenyl)-1,2-oxazol-4-yl]-(3-phenylpyrrolidin-1-yl)methanone;[5-(3-methylphenyl)-1,2-oxazol-4-yl]-(3-phenylpyrrolidin-1-yl)methanone;[5-(4-methylphenyl)-1,2-oxazol-4-yl]-(3-pyridin-3-ylpyrrolidin-1-yl)methanone;(3-pyridin-3-ylpyrrolidin-1-yl)-[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methanone has a molecular weight of 2072.75 g/mol, XLogP of 24.79, 18 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-chlorophenyl)-1,2-oxazol-4-yl]-(3-phenylpyrrolidin-1-yl)methanone;3,4-dihydro-1H-isoquinolin-2-yl-[5-(4-methylphenyl)-1,2-oxazol-4-yl]methanone;[5-(4-methoxyphenyl)-1,2-oxazol-4-yl]-(3-phenylpyrrolidin-1-yl)methanone;[5-(3-methylphenyl)-1,2-oxazol-4-yl]-(3-phenylpyrrolidin-1-yl)methanone;[5-(4-methylphenyl)-1,2-oxazol-4-yl]-(3-pyridin-3-ylpyrrolidin-1-yl)methanone;(3-pyridin-3-ylpyrrolidin-1-yl)-[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methanone is sourced from PubChem (CID 162202133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).