About 3-[4-(1-ethyltriazol-4-yl)phenyl]-1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]propan-1-one;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-[3-methyl-4-(3-methylthiophen-2-yl)phenyl]propan-1-one;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-[4-[3-[(4-methylphenyl)methyl]imidazol-4-yl]phenyl]propan-1-one;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-[4-(6-methyl-3-pyridinyl)phenyl]propan-1-one;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-[3-(4-methyl-1,3-thiazol-5-yl)phenyl]propan-1-one;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propan-1-one
3-[4-(1-ethyltriazol-4-yl)phenyl]-1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]propan-1-one;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-[3-methyl-4-(3-methylthiophen-2-yl)phenyl]propan-1-one;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-[4-[3-[(4-methylphenyl)methyl]imidazol-4-yl]phenyl]propan-1-one;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-[4-(6-methyl-3-pyridinyl)phenyl]propan-1-one;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-[3-(4-methyl-1,3-thiazol-5-yl)phenyl]propan-1-one;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propan-1-one (PubChem CID 157168104) has the molecular formula C149H164N20O24S3
and a molecular weight of 2715.27 g/mol. Its IUPAC name is 3-[4-(1-ethyltriazol-4-yl)phenyl]-1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]propan-1-one;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-[3-methyl-4-(3-methylthiophen-2-yl)phenyl]propan-1-one;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-[4-[3-[(4-methylphenyl)methyl]imidazol-4-yl]phenyl]propan-1-one;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-[4-(6-methyl-3-pyridinyl)phenyl]propan-1-one;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-[3-(4-methyl-1,3-thiazol-5-yl)phenyl]propan-1-one;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propan-1-one.
Frequently Asked Questions
What is the IUPAC name of 3-[4-(1-ethyltriazol-4-yl)phenyl]-1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]propan-1-one;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-[3-methyl-4-(3-methylthiophen-2-yl)phenyl]propan-1-one;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-[4-[3-[(4-methylphenyl)methyl]imidazol-4-yl]phenyl]propan-1-one;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-[4-(6-methyl-3-pyridinyl)phenyl]propan-1-one;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-[3-(4-methyl-1,3-thiazol-5-yl)phenyl]propan-1-one;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propan-1-one?
The IUPAC name of 3-[4-(1-ethyltriazol-4-yl)phenyl]-1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]propan-1-one;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-[3-methyl-4-(3-methylthiophen-2-yl)phenyl]propan-1-one;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-[4-[3-[(4-methylphenyl)methyl]imidazol-4-yl]phenyl]propan-1-one;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-[4-(6-methyl-3-pyridinyl)phenyl]propan-1-one;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-[3-(4-methyl-1,3-thiazol-5-yl)phenyl]propan-1-one;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propan-1-one (CID 157168104) is 3-[4-(1-ethyltriazol-4-yl)phenyl]-1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]propan-1-one;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-[3-methyl-4-(3-methylthiophen-2-yl)phenyl]propan-1-one;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-[4-[3-[(4-methylphenyl)methyl]imidazol-4-yl]phenyl]propan-1-one;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-[4-(6-methyl-3-pyridinyl)phenyl]propan-1-one;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-[3-(4-methyl-1,3-thiazol-5-yl)phenyl]propan-1-one;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propan-1-one.
What is the SMILES notation for 3-[4-(1-ethyltriazol-4-yl)phenyl]-1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]propan-1-one;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-[3-methyl-4-(3-methylthiophen-2-yl)phenyl]propan-1-one;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-[4-[3-[(4-methylphenyl)methyl]imidazol-4-yl]phenyl]propan-1-one;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-[4-(6-methyl-3-pyridinyl)phenyl]propan-1-one;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-[3-(4-methyl-1,3-thiazol-5-yl)phenyl]propan-1-one;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propan-1-one?
The canonical SMILES for 3-[4-(1-ethyltriazol-4-yl)phenyl]-1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]propan-1-one;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-[3-methyl-4-(3-methylthiophen-2-yl)phenyl]propan-1-one;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-[4-[3-[(4-methylphenyl)methyl]imidazol-4-yl]phenyl]propan-1-one;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-[4-(6-methyl-3-pyridinyl)phenyl]propan-1-one;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-[3-(4-methyl-1,3-thiazol-5-yl)phenyl]propan-1-one;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propan-1-one is CCn1cc(-c2ccc(CCC(=O)[C@@H]3C[C@@H](O)CN3C(=O)Cc3cc(C)no3)cc2)nn1.Cc1cc(CC(=O)N2C[C@H](O)C[C@H]2C(=O)CCc2ccc(-c3sccc3C)c(C)c2)on1.Cc1cc(CC(=O)N2C[C@H](O)C[C@H]2C(=O)CCc2ccc(-c3scnc3C)cc2)on1.Cc1cc(CC(=O)N2C[C@H](O)C[C@H]2C(=O)CCc2cccc(-c3scnc3C)c2)on1.Cc1ccc(-c2ccc(CCC(=O)[C@@H]3C[C@@H](O)CN3C(=O)Cc3cc(C)no3)cc2)cn1.Cc1ccc(Cn2cncc2-c2ccc(CCC(=O)[C@@H]3C[C@@H](O)CN3C(=O)Cc3cc(C)no3)cc2)cc1.
What is the InChIKey of 3-[4-(1-ethyltriazol-4-yl)phenyl]-1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]propan-1-one;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-[3-methyl-4-(3-methylthiophen-2-yl)phenyl]propan-1-one;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-[4-[3-[(4-methylphenyl)methyl]imidazol-4-yl]phenyl]propan-1-one;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-[4-(6-methyl-3-pyridinyl)phenyl]propan-1-one;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-[3-(4-methyl-1,3-thiazol-5-yl)phenyl]propan-1-one;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propan-1-one?
The InChIKey is ANDNUAHTYQBMHY-ZMIKFPAKSA-N. The full InChI is InChI=1S/C30H32N4O4.C25H27N3O4.C25H28N2O4S.C23H27N5O4.2C23H25N3O4S/c1-20-3-5-23(6-4-20)17-33-19-31-16-28(33)24-10-7-22(8-11-24)9-12-29(36)27-14-25(35)18-34(27)30(37)15-26-13-21(2)32-38-26;1-16-3-7-20(14-26-16)19-8-4-18(5-9-19)6-10-24(30)23-12-21(29)15-28(23)25(31)13-22-11-17(2)27-32-22;1-15-8-9-32-25(15)21-6-4-18(10-16(21)2)5-7-23(29)22-12-19(28)14-27(22)24(30)13-20-11-17(3)26-31-20;1-3-27-14-20(24-26-27)17-7-4-16(5-8-17)6-9-22(30)21-11-18(29)13-28(21)23(31)12-19-10-15(2)25-32-19;1-14-9-19(30-25-14)11-22(29)26-12-18(27)10-20(26)21(28)8-5-16-3-6-17(7-4-16)23-15(2)24-13-31-23;1-14-8-19(30-25-14)11-22(29)26-12-18(27)10-20(26)21(28)7-6-16-4-3-5-17(9-16)23-15(2)24-13-31-23/h3-8,10-11,13,16,19,25,27,35H,9,12,14-15,17-18H2,1-2H3;3-5,7-9,11,14,21,23,29H,6,10,12-13,15H2,1-2H3;4,6,8-11,19,22,28H,5,7,12-14H2,1-3H3;4-5,7-8,10,14,18,21,29H,3,6,9,11-13H2,1-2H3;3-4,6-7,9,13,18,20,27H,5,8,10-12H2,1-2H3;3-5,8-9,13,18,20,27H,6-7,10-12H2,1-2H3/t25-,27+;21-,23+;19-,22+;18-,21+;2*18-,20+/m111111/s1.
What are the key properties of 3-[4-(1-ethyltriazol-4-yl)phenyl]-1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]propan-1-one;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-[3-methyl-4-(3-methylthiophen-2-yl)phenyl]propan-1-one;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-[4-[3-[(4-methylphenyl)methyl]imidazol-4-yl]phenyl]propan-1-one;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-[4-(6-methyl-3-pyridinyl)phenyl]propan-1-one;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-[3-(4-methyl-1,3-thiazol-5-yl)phenyl]propan-1-one;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propan-1-one?
3-[4-(1-ethyltriazol-4-yl)phenyl]-1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]propan-1-one;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-[3-methyl-4-(3-methylthiophen-2-yl)phenyl]propan-1-one;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-[4-[3-[(4-methylphenyl)methyl]imidazol-4-yl]phenyl]propan-1-one;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-[4-(6-methyl-3-pyridinyl)phenyl]propan-1-one;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-[3-(4-methyl-1,3-thiazol-5-yl)phenyl]propan-1-one;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propan-1-one has a molecular weight of 2715.27 g/mol, XLogP of 19.21, 45 rotatable bonds, 6 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1-ethyltriazol-4-yl)phenyl]-1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]propan-1-one;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-[3-methyl-4-(3-methylthiophen-2-yl)phenyl]propan-1-one;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-[4-[3-[(4-methylphenyl)methyl]imidazol-4-yl]phenyl]propan-1-one;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-[4-(6-methyl-3-pyridinyl)phenyl]propan-1-one;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-[3-(4-methyl-1,3-thiazol-5-yl)phenyl]propan-1-one;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propan-1-one is sourced from PubChem (CID 157168104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).