5-[(1S)-1-aminoethyl]-N-[1-(2-fluorophenyl)-2-hydroxyethyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazole-4-carboxamide;5-[(1S)-1-aminoethyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-N-[(2S)-1-(pyrimidin-2-ylamino)butan-2-yl]-1,3-oxazole-4-carboxamide;ethyl (2S,4R)-1-[5-[(1S)-1-aminoethyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazole-4-carbonyl]-4-(cyclopropanecarbonylamino)pyrrolidine-2-carboxylate;ethyl (2S)-1-[5-[(1S)-1-aminoethyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazole-4-carbonyl]-4-hydroxy-4-methylpyrrolidine-2-carboxylate

C103H105F13N20O19 — CID 157454284

IUPAC5-[(1S)-1-aminoethyl]-N-[1-(2-fluorophenyl)-2-hydroxyethyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazole-4-carboxamide;5-[(1S)-1-aminoethyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-N-[(2S)-1-(pyrimidin-2-ylamino)butan-2-yl]-1,3-oxazole-4-carboxamide;ethyl (2S,4R)-1-[5-[(1S)-1-aminoethyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazole-4-carbonyl]-4-(cyclopropanecarbonylamino)pyrrolidine-2-carboxylate;ethyl (2S)-1-[5-[(1S)-1-aminoethyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazole-4-carbonyl]-4-hydroxy-4-methylpyrrolidine-2-carboxylate
SMILESCCOC(=O)[C@@H]1CC(C)(O)CN1C(=O)c1nc(-c2ccc(OC)c3nc(C(F)(F)F)ccc23)oc1[C@H](C)N.CCOC(=O)[C@@H]1C[C@@H](NC(=O)C2CC2)CN1C(=O)c1nc(-c2ccc(OC)c3nc(C(F)(F)F)ccc23)oc1[C@H](C)N.CC[C@@H](CNc1ncccn1)NC(=O)c1nc(-c2ccc(OC)c3nc(C(F)(F)F)ccc23)oc1[C@H](C)N.COc1ccc(-c2nc(C(=O)NC(CO)c3ccccc3F)c([C@H](C)N)o2)c2ccc(C(F)(F)F)nc12
InChIInChI=1S/C28H30F3N5O6.C25H22F4N4O4.C25H26F3N7O3.C25H27F3N4O6/c1-4-41-27(39)18-11-15(33-24(37)14-5-6-14)12-36(18)26(38)22-23(13(2)32)42-25(35-22)17-7-9-19(40-3)21-16(17)8-10-20(34-21)28(29,30)31;1-12(30)22-21(23(35)31-17(11-34)15-5-3-4-6-16(15)26)33-24(37-22)14-7-9-18(36-2)20-13(14)8-10-19(32-20)25(27,28)29;1-4-14(12-32-24-30-10-5-11-31-24)33-22(36)20-21(13(2)29)38-23(35-20)16-6-8-17(37-3)19-15(16)7-9-18(34-19)25(26,27)28;1-5-37-23(34)15-10-24(3,35)11-32(15)22(33)19-20(12(2)29)38-21(31-19)14-6-8-16(36-4)18-13(14)7-9-17(30-18)25(26,27)28/h7-10,13-15,18H,4-6,11-12,32H2,1-3H3,(H,33,37);3-10,12,17,34H,11,30H2,1-2H3,(H,31,35);5-11,13-14H,4,12,29H2,1-3H3,(H,33,36)(H,30,31,32);6-9,12,15,35H,5,10-11,29H2,1-4H3/t13-,15+,18-;12-,17?;13-,14-;12-,15-,24?/m0000/s1
InChIKeyBTDYZTTZCNATQF-GWYRBCKGSA-N
MW2174.07 g/mol
LogP15.96
Rot. Bonds30

About 5-[(1S)-1-aminoethyl]-N-[1-(2-fluorophenyl)-2-hydroxyethyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazole-4-carboxamide;5-[(1S)-1-aminoethyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-N-[(2S)-1-(pyrimidin-2-ylamino)butan-2-yl]-1,3-oxazole-4-carboxamide;ethyl (2S,4R)-1-[5-[(1S)-1-aminoethyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazole-4-carbonyl]-4-(cyclopropanecarbonylamino)pyrrolidine-2-carboxylate;ethyl (2S)-1-[5-[(1S)-1-aminoethyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazole-4-carbonyl]-4-hydroxy-4-methylpyrrolidine-2-carboxylate

5-[(1S)-1-aminoethyl]-N-[1-(2-fluorophenyl)-2-hydroxyethyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazole-4-carboxamide;5-[(1S)-1-aminoethyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-N-[(2S)-1-(pyrimidin-2-ylamino)butan-2-yl]-1,3-oxazole-4-carboxamide;ethyl (2S,4R)-1-[5-[(1S)-1-aminoethyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazole-4-carbonyl]-4-(cyclopropanecarbonylamino)pyrrolidine-2-carboxylate;ethyl (2S)-1-[5-[(1S)-1-aminoethyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazole-4-carbonyl]-4-hydroxy-4-methylpyrrolidine-2-carboxylate (PubChem CID 157454284) has the molecular formula C103H105F13N20O19 and a molecular weight of 2174.07 g/mol. Its IUPAC name is 5-[(1S)-1-aminoethyl]-N-[1-(2-fluorophenyl)-2-hydroxyethyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazole-4-carboxamide;5-[(1S)-1-aminoethyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-N-[(2S)-1-(pyrimidin-2-ylamino)butan-2-yl]-1,3-oxazole-4-carboxamide;ethyl (2S,4R)-1-[5-[(1S)-1-aminoethyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazole-4-carbonyl]-4-(cyclopropanecarbonylamino)pyrrolidine-2-carboxylate;ethyl (2S)-1-[5-[(1S)-1-aminoethyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazole-4-carbonyl]-4-hydroxy-4-methylpyrrolidine-2-carboxylate.

Molecular Properties

Compound Name5-[(1S)-1-aminoethyl]-N-[1-(2-fluorophenyl)-2-hydroxyethyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazole-4-carboxamide;5-[(1S)-1-aminoethyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-N-[(2S)-1-(pyrimidin-2-ylamino)butan-2-yl]-1,3-oxazole-4-carboxamide;ethyl (2S,4R)-1-[5-[(1S)-1-aminoethyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazole-4-carbonyl]-4-(cyclopropanecarbonylamino)pyrrolidine-2-carboxylate;ethyl (2S)-1-[5-[(1S)-1-aminoethyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazole-4-carbonyl]-4-hydroxy-4-methylpyrrolidine-2-carboxylate
PubChem CID157454284
Molecular FormulaC103H105F13N20O19
Molecular Weight2174.07 g/mol
Exact Mass2172.77
IUPAC Name5-[(1S)-1-aminoethyl]-N-[1-(2-fluorophenyl)-2-hydroxyethyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazole-4-carboxamide;5-[(1S)-1-aminoethyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-N-[(2S)-1-(pyrimidin-2-ylamino)butan-2-yl]-1,3-oxazole-4-carboxamide;ethyl (2S,4R)-1-[5-[(1S)-1-aminoethyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazole-4-carbonyl]-4-(cyclopropanecarbonylamino)pyrrolidine-2-carboxylate;ethyl (2S)-1-[5-[(1S)-1-aminoethyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazole-4-carbonyl]-4-hydroxy-4-methylpyrrolidine-2-carboxylate
SMILESCCOC(=O)[C@@H]1CC(C)(O)CN1C(=O)c1nc(-c2ccc(OC)c3nc(C(F)(F)F)ccc23)oc1[C@H](C)N.CCOC(=O)[C@@H]1C[C@@H](NC(=O)C2CC2)CN1C(=O)c1nc(-c2ccc(OC)c3nc(C(F)(F)F)ccc23)oc1[C@H](C)N.CC[C@@H](CNc1ncccn1)NC(=O)c1nc(-c2ccc(OC)c3nc(C(F)(F)F)ccc23)oc1[C@H](C)N.COc1ccc(-c2nc(C(=O)NC(CO)c3ccccc3F)c([C@H](C)N)o2)c2ccc(C(F)(F)F)nc12
InChIInChI=1S/C28H30F3N5O6.C25H22F4N4O4.C25H26F3N7O3.C25H27F3N4O6/c1-4-41-27(39)18-11-15(33-24(37)14-5-6-14)12-36(18)26(38)22-23(13(2)32)42-25(35-22)17-7-9-19(40-3)21-16(17)8-10-20(34-21)28(29,30)31;1-12(30)22-21(23(35)31-17(11-34)15-5-3-4-6-16(15)26)33-24(37-22)14-7-9-18(36-2)20-13(14)8-10-19(32-20)25(27,28)29;1-4-14(12-32-24-30-10-5-11-31-24)33-22(36)20-21(13(2)29)38-23(35-20)16-6-8-17(37-3)19-15(16)7-9-18(34-19)25(26,27)28;1-5-37-23(34)15-10-24(3,35)11-32(15)22(33)19-20(12(2)29)38-21(31-19)14-6-8-16(36-4)18-13(14)7-9-17(30-18)25(26,27)28/h7-10,13-15,18H,4-6,11-12,32H2,1-3H3,(H,33,37);3-10,12,17,34H,11,30H2,1-2H3,(H,31,35);5-11,13-14H,4,12,29H2,1-3H3,(H,33,36)(H,30,31,32);6-9,12,15,35H,5,10-11,29H2,1-4H3/t13-,15+,18-;12-,17?;13-,14-;12-,15-,24?/m0000/s1
InChIKeyBTDYZTTZCNATQF-GWYRBCKGSA-N
XLogP15.96
TPSA555.47 Ų
H-Bond Donors10
H-Bond Acceptors34
Rotatable Bonds30
Heavy Atoms155
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002174.07
LogP ≤ 515.96
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1034

Analyze 5-[(1S)-1-aminoethyl]-N-[1-(2-fluorophenyl)-2-hydroxyethyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazole-4-carboxamide;5-[(1S)-1-aminoethyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-N-[(2S)-1-(pyrimidin-2-ylamino)butan-2-yl]-1,3-oxazole-4-carboxamide;ethyl (2S,4R)-1-[5-[(1S)-1-aminoethyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazole-4-carbonyl]-4-(cyclopropanecarbonylamino)pyrrolidine-2-carboxylate;ethyl (2S)-1-[5-[(1S)-1-aminoethyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazole-4-carbonyl]-4-hydroxy-4-methylpyrrolidine-2-carboxylate with MolForge

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Related Compounds

[5-[(1S)-1-aminoethyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazol-4-yl]-[4-(pyrimidin-2-ylamino)piperidin-1-yl]methanone
CID 11512217
[5-[(1S)-1-aminoethyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazol-4-yl]-[(3R)-3-methyl-4-pyrimidin-2-ylpiperazin-1-yl]methanone
CID 11562923
[5-(Aminomethyl)-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazol-4-yl]-[4-(pyrimidin-2-ylamino)piperidin-1-yl]methanone
CID 11570013
[5-[(1S)-1-aminoethyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazol-4-yl]-(4-hydroxy-4-pyrimidin-2-ylpiperidin-1-yl)methanone
CID 11591977
5-[(1S)-1-aminoethyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-N-[(3S)-1-pyrimidin-2-ylpyrrolidin-3-yl]-1,3-oxazole-4-carboxamide
CID 11670946
propan-2-yl (2S,4S)-1-[5-[(1S)-1-aminoethyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazole-4-carbonyl]-4-hydroxy-4-pyrimidin-2-ylpyrrolidine-2-carboxylate
CID 11714220
methyl 1-[5-[(1S)-1-aminoethyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazole-4-carbonyl]-4-pyrimidin-2-ylpiperazine-2-carboxylate
CID 57600651
[5-[(1S)-1-aminoethyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazol-4-yl]-[(3R)-3-[(5-fluoropyrimidin-4-yl)amino]pyrrolidin-1-yl]methanone
CID 57600665
[5-[(1S)-1-aminoethyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazol-4-yl]-[(3S)-3-ethyl-4-pyrimidin-2-ylpiperazin-1-yl]methanone
CID 57600699
[5-(aminomethyl)-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazol-4-yl]-[(3R)-3-(pyrimidin-2-ylamino)pyrrolidin-1-yl]methanone
CID 57600701
[5-[(1S)-1-aminoethyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazol-4-yl]-(4-methoxy-4-pyrimidin-2-ylpiperidin-1-yl)methanone
CID 57600770
5-[(1S)-1-aminoethyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-N-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]-1,3-oxazole-4-carboxamide
CID 57600786

Frequently Asked Questions

What is the IUPAC name of 5-[(1S)-1-aminoethyl]-N-[1-(2-fluorophenyl)-2-hydroxyethyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazole-4-carboxamide;5-[(1S)-1-aminoethyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-N-[(2S)-1-(pyrimidin-2-ylamino)butan-2-yl]-1,3-oxazole-4-carboxamide;ethyl (2S,4R)-1-[5-[(1S)-1-aminoethyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazole-4-carbonyl]-4-(cyclopropanecarbonylamino)pyrrolidine-2-carboxylate;ethyl (2S)-1-[5-[(1S)-1-aminoethyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazole-4-carbonyl]-4-hydroxy-4-methylpyrrolidine-2-carboxylate?
The IUPAC name of 5-[(1S)-1-aminoethyl]-N-[1-(2-fluorophenyl)-2-hydroxyethyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazole-4-carboxamide;5-[(1S)-1-aminoethyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-N-[(2S)-1-(pyrimidin-2-ylamino)butan-2-yl]-1,3-oxazole-4-carboxamide;ethyl (2S,4R)-1-[5-[(1S)-1-aminoethyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazole-4-carbonyl]-4-(cyclopropanecarbonylamino)pyrrolidine-2-carboxylate;ethyl (2S)-1-[5-[(1S)-1-aminoethyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazole-4-carbonyl]-4-hydroxy-4-methylpyrrolidine-2-carboxylate (CID 157454284) is 5-[(1S)-1-aminoethyl]-N-[1-(2-fluorophenyl)-2-hydroxyethyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazole-4-carboxamide;5-[(1S)-1-aminoethyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-N-[(2S)-1-(pyrimidin-2-ylamino)butan-2-yl]-1,3-oxazole-4-carboxamide;ethyl (2S,4R)-1-[5-[(1S)-1-aminoethyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazole-4-carbonyl]-4-(cyclopropanecarbonylamino)pyrrolidine-2-carboxylate;ethyl (2S)-1-[5-[(1S)-1-aminoethyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazole-4-carbonyl]-4-hydroxy-4-methylpyrrolidine-2-carboxylate.
What is the SMILES notation for 5-[(1S)-1-aminoethyl]-N-[1-(2-fluorophenyl)-2-hydroxyethyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazole-4-carboxamide;5-[(1S)-1-aminoethyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-N-[(2S)-1-(pyrimidin-2-ylamino)butan-2-yl]-1,3-oxazole-4-carboxamide;ethyl (2S,4R)-1-[5-[(1S)-1-aminoethyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazole-4-carbonyl]-4-(cyclopropanecarbonylamino)pyrrolidine-2-carboxylate;ethyl (2S)-1-[5-[(1S)-1-aminoethyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazole-4-carbonyl]-4-hydroxy-4-methylpyrrolidine-2-carboxylate?
The canonical SMILES for 5-[(1S)-1-aminoethyl]-N-[1-(2-fluorophenyl)-2-hydroxyethyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazole-4-carboxamide;5-[(1S)-1-aminoethyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-N-[(2S)-1-(pyrimidin-2-ylamino)butan-2-yl]-1,3-oxazole-4-carboxamide;ethyl (2S,4R)-1-[5-[(1S)-1-aminoethyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazole-4-carbonyl]-4-(cyclopropanecarbonylamino)pyrrolidine-2-carboxylate;ethyl (2S)-1-[5-[(1S)-1-aminoethyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazole-4-carbonyl]-4-hydroxy-4-methylpyrrolidine-2-carboxylate is CCOC(=O)[C@@H]1CC(C)(O)CN1C(=O)c1nc(-c2ccc(OC)c3nc(C(F)(F)F)ccc23)oc1[C@H](C)N.CCOC(=O)[C@@H]1C[C@@H](NC(=O)C2CC2)CN1C(=O)c1nc(-c2ccc(OC)c3nc(C(F)(F)F)ccc23)oc1[C@H](C)N.CC[C@@H](CNc1ncccn1)NC(=O)c1nc(-c2ccc(OC)c3nc(C(F)(F)F)ccc23)oc1[C@H](C)N.COc1ccc(-c2nc(C(=O)NC(CO)c3ccccc3F)c([C@H](C)N)o2)c2ccc(C(F)(F)F)nc12.
What is the InChIKey of 5-[(1S)-1-aminoethyl]-N-[1-(2-fluorophenyl)-2-hydroxyethyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazole-4-carboxamide;5-[(1S)-1-aminoethyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-N-[(2S)-1-(pyrimidin-2-ylamino)butan-2-yl]-1,3-oxazole-4-carboxamide;ethyl (2S,4R)-1-[5-[(1S)-1-aminoethyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazole-4-carbonyl]-4-(cyclopropanecarbonylamino)pyrrolidine-2-carboxylate;ethyl (2S)-1-[5-[(1S)-1-aminoethyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazole-4-carbonyl]-4-hydroxy-4-methylpyrrolidine-2-carboxylate?
The InChIKey is BTDYZTTZCNATQF-GWYRBCKGSA-N. The full InChI is InChI=1S/C28H30F3N5O6.C25H22F4N4O4.C25H26F3N7O3.C25H27F3N4O6/c1-4-41-27(39)18-11-15(33-24(37)14-5-6-14)12-36(18)26(38)22-23(13(2)32)42-25(35-22)17-7-9-19(40-3)21-16(17)8-10-20(34-21)28(29,30)31;1-12(30)22-21(23(35)31-17(11-34)15-5-3-4-6-16(15)26)33-24(37-22)14-7-9-18(36-2)20-13(14)8-10-19(32-20)25(27,28)29;1-4-14(12-32-24-30-10-5-11-31-24)33-22(36)20-21(13(2)29)38-23(35-20)16-6-8-17(37-3)19-15(16)7-9-18(34-19)25(26,27)28;1-5-37-23(34)15-10-24(3,35)11-32(15)22(33)19-20(12(2)29)38-21(31-19)14-6-8-16(36-4)18-13(14)7-9-17(30-18)25(26,27)28/h7-10,13-15,18H,4-6,11-12,32H2,1-3H3,(H,33,37);3-10,12,17,34H,11,30H2,1-2H3,(H,31,35);5-11,13-14H,4,12,29H2,1-3H3,(H,33,36)(H,30,31,32);6-9,12,15,35H,5,10-11,29H2,1-4H3/t13-,15+,18-;12-,17?;13-,14-;12-,15-,24?/m0000/s1.
What are the key properties of 5-[(1S)-1-aminoethyl]-N-[1-(2-fluorophenyl)-2-hydroxyethyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazole-4-carboxamide;5-[(1S)-1-aminoethyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-N-[(2S)-1-(pyrimidin-2-ylamino)butan-2-yl]-1,3-oxazole-4-carboxamide;ethyl (2S,4R)-1-[5-[(1S)-1-aminoethyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazole-4-carbonyl]-4-(cyclopropanecarbonylamino)pyrrolidine-2-carboxylate;ethyl (2S)-1-[5-[(1S)-1-aminoethyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazole-4-carbonyl]-4-hydroxy-4-methylpyrrolidine-2-carboxylate?
5-[(1S)-1-aminoethyl]-N-[1-(2-fluorophenyl)-2-hydroxyethyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazole-4-carboxamide;5-[(1S)-1-aminoethyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-N-[(2S)-1-(pyrimidin-2-ylamino)butan-2-yl]-1,3-oxazole-4-carboxamide;ethyl (2S,4R)-1-[5-[(1S)-1-aminoethyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazole-4-carbonyl]-4-(cyclopropanecarbonylamino)pyrrolidine-2-carboxylate;ethyl (2S)-1-[5-[(1S)-1-aminoethyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazole-4-carbonyl]-4-hydroxy-4-methylpyrrolidine-2-carboxylate has a molecular weight of 2174.07 g/mol, XLogP of 15.96, 30 rotatable bonds, 10 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1S)-1-aminoethyl]-N-[1-(2-fluorophenyl)-2-hydroxyethyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazole-4-carboxamide;5-[(1S)-1-aminoethyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-N-[(2S)-1-(pyrimidin-2-ylamino)butan-2-yl]-1,3-oxazole-4-carboxamide;ethyl (2S,4R)-1-[5-[(1S)-1-aminoethyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazole-4-carbonyl]-4-(cyclopropanecarbonylamino)pyrrolidine-2-carboxylate;ethyl (2S)-1-[5-[(1S)-1-aminoethyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazole-4-carbonyl]-4-hydroxy-4-methylpyrrolidine-2-carboxylate is sourced from PubChem (CID 157454284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).