N-[3-[[(2S)-2-amino-3-(3-hydroxyphenyl)propanoyl]amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(3,5-dimethylfuran-2-carbonyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(5-ethylfuran-2-carbonyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(2-fluoropyridine-3-carbonyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(5-fluoropyridine-3-carbonyl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(1-methylimidazole-4-carbonyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(6-methylpyrazine-2-carbonyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-(oxane-2-carbonylamino)propyl]-5-phenyl-1,2-oxazole-3-carboxamide;5-phenyl-N-[3-[(4-phenylpyridine-2-carbonyl)amino]propyl]-1,2-oxazole-3-carboxamide;5-phenyl-N-[3-(2H-triazole-4-carbonylamino)propyl]-1,2-oxazole-3-carboxamide;5-phenyl-N-[3-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]propyl]-1,2-oxazole-3-carboxamide

C215H214F5N45O37S — CID 158249167

IUPACN-[3-[[(2S)-2-amino-3-(3-hydroxyphenyl)propanoyl]amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(3,5-dimethylfuran-2-carbonyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(5-ethylfuran-2-carbonyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(2-fluoropyridine-3-carbonyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(5-fluoropyridine-3-carbonyl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(1-methylimidazole-4-carbonyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(6-methylpyrazine-2-carbonyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-(oxane-2-carbonylamino)propyl]-5-phenyl-1,2-oxazole-3-carboxamide;5-phenyl-N-[3-[(4-phenylpyridine-2-carbonyl)amino]propyl]-1,2-oxazole-3-carboxamide;5-phenyl-N-[3-(2H-triazole-4-carbonylamino)propyl]-1,2-oxazole-3-carboxamide;5-phenyl-N-[3-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]propyl]-1,2-oxazole-3-carboxamide
SMILESCCc1ccc(C(=O)NCCCNC(=O)c2cc(-c3ccccc3)on2)o1.Cc1cc(C)c(C(=O)NCCCNC(=O)c2cc(-c3ccccc3)on2)o1.Cc1cncc(C(=O)NCCCNC(=O)c2cc(-c3ccccc3)on2)n1.Cn1cnc(C(=O)NCCCNC(=O)c2cc(-c3ccccc3)on2)c1.N[C@@H](Cc1cccc(O)c1)C(=O)NCCCNC(=O)c1cc(-c2ccccc2)on1.O=C(NCCCNC(=O)C1CCCCO1)c1cc(-c2ccccc2)on1.O=C(NCCCNC(=O)c1cc(-c2ccccc2)on1)c1cc(-c2ccccc2)ccn1.O=C(NCCCNC(=O)c1cc(-c2ccccc2)on1)c1cn[nH]n1.O=C(NCCCNC(=O)c1cc(-c2cccs2)on1)c1cncc(F)c1.O=C(NCCCNC(=O)c1cccc(C(F)(F)F)n1)c1cc(-c2ccccc2)on1.O=C(NCCCNC(=O)c1cccnc1F)c1cc(-c2ccccc2)on1
InChIInChI=1S/C25H22N4O3.C22H24N4O4.C20H17F3N4O3.2C20H21N3O4.C19H17FN4O3.C19H19N5O3.C19H23N3O4.C18H19N5O3.C17H15FN4O3S.C16H16N6O3/c30-24(21-16-20(12-15-26-21)18-8-3-1-4-9-18)27-13-7-14-28-25(31)22-17-23(32-29-22)19-10-5-2-6-11-19;23-18(13-15-6-4-9-17(27)12-15)21(28)24-10-5-11-25-22(29)19-14-20(30-26-19)16-7-2-1-3-8-16;21-20(22,23)17-9-4-8-14(26-17)18(28)24-10-5-11-25-19(29)15-12-16(30-27-15)13-6-2-1-3-7-13;1-13-11-14(2)26-18(13)20(25)22-10-6-9-21-19(24)16-12-17(27-23-16)15-7-4-3-5-8-15;1-2-15-9-10-17(26-15)20(25)22-12-6-11-21-19(24)16-13-18(27-23-16)14-7-4-3-5-8-14;20-17-14(8-4-9-21-17)18(25)22-10-5-11-23-19(26)15-12-16(27-24-15)13-6-2-1-3-7-13;1-13-11-20-12-16(23-13)19(26)22-9-5-8-21-18(25)15-10-17(27-24-15)14-6-3-2-4-7-14;23-18(15-13-17(26-22-15)14-7-2-1-3-8-14)20-10-6-11-21-19(24)16-9-4-5-12-25-16;1-23-11-15(21-12-23)18(25)20-9-5-8-19-17(24)14-10-16(26-22-14)13-6-3-2-4-7-13;18-12-7-11(9-19-10-12)16(23)20-4-2-5-21-17(24)13-8-14(25-22-13)15-3-1-6-26-15;23-15(12-9-14(25-21-12)11-5-2-1-3-6-11)17-7-4-8-18-16(24)13-10-19-22-20-13/h1-6,8-12,15-17H,7,13-14H2,(H,27,30)(H,28,31);1-4,6-9,12,14,18,27H,5,10-11,13,23H2,(H,24,28)(H,25,29);1-4,6-9,12H,5,10-11H2,(H,24,28)(H,25,29);3-5,7-8,11-12H,6,9-10H2,1-2H3,(H,21,24)(H,22,25);3-5,7-10,13H,2,6,11-12H2,1H3,(H,21,24)(H,22,25);1-4,6-9,12H,5,10-11H2,(H,22,25)(H,23,26);2-4,6-7,10-12H,5,8-9H2,1H3,(H,21,25)(H,22,26);1-3,7-8,13,16H,4-6,9-12H2,(H,20,23)(H,21,24);2-4,6-7,10-12H,5,8-9H2,1H3,(H,19,24)(H,20,25);1,3,6-10H,2,4-5H2,(H,20,23)(H,21,24);1-3,5-6,9-10H,4,7-8H2,(H,17,23)(H,18,24)(H,19,20,22)/t;18-;;;;;;;;;/m.0........./s1
InChIKeyGGMPOOLQYDXAAA-ORLMUEMWSA-N
MW4147.41 g/mol
LogP26.94
Rot. Bonds81

About N-[3-[[(2S)-2-amino-3-(3-hydroxyphenyl)propanoyl]amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(3,5-dimethylfuran-2-carbonyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(5-ethylfuran-2-carbonyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(2-fluoropyridine-3-carbonyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(5-fluoropyridine-3-carbonyl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(1-methylimidazole-4-carbonyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(6-methylpyrazine-2-carbonyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-(oxane-2-carbonylamino)propyl]-5-phenyl-1,2-oxazole-3-carboxamide;5-phenyl-N-[3-[(4-phenylpyridine-2-carbonyl)amino]propyl]-1,2-oxazole-3-carboxamide;5-phenyl-N-[3-(2H-triazole-4-carbonylamino)propyl]-1,2-oxazole-3-carboxamide;5-phenyl-N-[3-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]propyl]-1,2-oxazole-3-carboxamide

N-[3-[[(2S)-2-amino-3-(3-hydroxyphenyl)propanoyl]amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(3,5-dimethylfuran-2-carbonyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(5-ethylfuran-2-carbonyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(2-fluoropyridine-3-carbonyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(5-fluoropyridine-3-carbonyl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(1-methylimidazole-4-carbonyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(6-methylpyrazine-2-carbonyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-(oxane-2-carbonylamino)propyl]-5-phenyl-1,2-oxazole-3-carboxamide;5-phenyl-N-[3-[(4-phenylpyridine-2-carbonyl)amino]propyl]-1,2-oxazole-3-carboxamide;5-phenyl-N-[3-(2H-triazole-4-carbonylamino)propyl]-1,2-oxazole-3-carboxamide;5-phenyl-N-[3-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]propyl]-1,2-oxazole-3-carboxamide (PubChem CID 158249167) has the molecular formula C215H214F5N45O37S and a molecular weight of 4147.41 g/mol. Its IUPAC name is N-[3-[[(2S)-2-amino-3-(3-hydroxyphenyl)propanoyl]amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(3,5-dimethylfuran-2-carbonyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(5-ethylfuran-2-carbonyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(2-fluoropyridine-3-carbonyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(5-fluoropyridine-3-carbonyl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(1-methylimidazole-4-carbonyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(6-methylpyrazine-2-carbonyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-(oxane-2-carbonylamino)propyl]-5-phenyl-1,2-oxazole-3-carboxamide;5-phenyl-N-[3-[(4-phenylpyridine-2-carbonyl)amino]propyl]-1,2-oxazole-3-carboxamide;5-phenyl-N-[3-(2H-triazole-4-carbonylamino)propyl]-1,2-oxazole-3-carboxamide;5-phenyl-N-[3-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]propyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-[[(2S)-2-amino-3-(3-hydroxyphenyl)propanoyl]amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(3,5-dimethylfuran-2-carbonyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(5-ethylfuran-2-carbonyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(2-fluoropyridine-3-carbonyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(5-fluoropyridine-3-carbonyl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(1-methylimidazole-4-carbonyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(6-methylpyrazine-2-carbonyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-(oxane-2-carbonylamino)propyl]-5-phenyl-1,2-oxazole-3-carboxamide;5-phenyl-N-[3-[(4-phenylpyridine-2-carbonyl)amino]propyl]-1,2-oxazole-3-carboxamide;5-phenyl-N-[3-(2H-triazole-4-carbonylamino)propyl]-1,2-oxazole-3-carboxamide;5-phenyl-N-[3-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]propyl]-1,2-oxazole-3-carboxamide
PubChem CID158249167
Molecular FormulaC215H214F5N45O37S
Molecular Weight4147.41 g/mol
Exact Mass4144.59
IUPAC NameN-[3-[[(2S)-2-amino-3-(3-hydroxyphenyl)propanoyl]amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(3,5-dimethylfuran-2-carbonyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(5-ethylfuran-2-carbonyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(2-fluoropyridine-3-carbonyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(5-fluoropyridine-3-carbonyl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(1-methylimidazole-4-carbonyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(6-methylpyrazine-2-carbonyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-(oxane-2-carbonylamino)propyl]-5-phenyl-1,2-oxazole-3-carboxamide;5-phenyl-N-[3-[(4-phenylpyridine-2-carbonyl)amino]propyl]-1,2-oxazole-3-carboxamide;5-phenyl-N-[3-(2H-triazole-4-carbonylamino)propyl]-1,2-oxazole-3-carboxamide;5-phenyl-N-[3-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]propyl]-1,2-oxazole-3-carboxamide
SMILESCCc1ccc(C(=O)NCCCNC(=O)c2cc(-c3ccccc3)on2)o1.Cc1cc(C)c(C(=O)NCCCNC(=O)c2cc(-c3ccccc3)on2)o1.Cc1cncc(C(=O)NCCCNC(=O)c2cc(-c3ccccc3)on2)n1.Cn1cnc(C(=O)NCCCNC(=O)c2cc(-c3ccccc3)on2)c1.N[C@@H](Cc1cccc(O)c1)C(=O)NCCCNC(=O)c1cc(-c2ccccc2)on1.O=C(NCCCNC(=O)C1CCCCO1)c1cc(-c2ccccc2)on1.O=C(NCCCNC(=O)c1cc(-c2ccccc2)on1)c1cc(-c2ccccc2)ccn1.O=C(NCCCNC(=O)c1cc(-c2ccccc2)on1)c1cn[nH]n1.O=C(NCCCNC(=O)c1cc(-c2cccs2)on1)c1cncc(F)c1.O=C(NCCCNC(=O)c1cccc(C(F)(F)F)n1)c1cc(-c2ccccc2)on1.O=C(NCCCNC(=O)c1cccnc1F)c1cc(-c2ccccc2)on1
InChIInChI=1S/C25H22N4O3.C22H24N4O4.C20H17F3N4O3.2C20H21N3O4.C19H17FN4O3.C19H19N5O3.C19H23N3O4.C18H19N5O3.C17H15FN4O3S.C16H16N6O3/c30-24(21-16-20(12-15-26-21)18-8-3-1-4-9-18)27-13-7-14-28-25(31)22-17-23(32-29-22)19-10-5-2-6-11-19;23-18(13-15-6-4-9-17(27)12-15)21(28)24-10-5-11-25-22(29)19-14-20(30-26-19)16-7-2-1-3-8-16;21-20(22,23)17-9-4-8-14(26-17)18(28)24-10-5-11-25-19(29)15-12-16(30-27-15)13-6-2-1-3-7-13;1-13-11-14(2)26-18(13)20(25)22-10-6-9-21-19(24)16-12-17(27-23-16)15-7-4-3-5-8-15;1-2-15-9-10-17(26-15)20(25)22-12-6-11-21-19(24)16-13-18(27-23-16)14-7-4-3-5-8-14;20-17-14(8-4-9-21-17)18(25)22-10-5-11-23-19(26)15-12-16(27-24-15)13-6-2-1-3-7-13;1-13-11-20-12-16(23-13)19(26)22-9-5-8-21-18(25)15-10-17(27-24-15)14-6-3-2-4-7-14;23-18(15-13-17(26-22-15)14-7-2-1-3-8-14)20-10-6-11-21-19(24)16-9-4-5-12-25-16;1-23-11-15(21-12-23)18(25)20-9-5-8-19-17(24)14-10-16(26-22-14)13-6-3-2-4-7-13;18-12-7-11(9-19-10-12)16(23)20-4-2-5-21-17(24)13-8-14(25-22-13)15-3-1-6-26-15;23-15(12-9-14(25-21-12)11-5-2-1-3-6-11)17-7-4-8-18-16(24)13-10-19-22-20-13/h1-6,8-12,15-17H,7,13-14H2,(H,27,30)(H,28,31);1-4,6-9,12,14,18,27H,5,10-11,13,23H2,(H,24,28)(H,25,29);1-4,6-9,12H,5,10-11H2,(H,24,28)(H,25,29);3-5,7-8,11-12H,6,9-10H2,1-2H3,(H,21,24)(H,22,25);3-5,7-10,13H,2,6,11-12H2,1H3,(H,21,24)(H,22,25);1-4,6-9,12H,5,10-11H2,(H,22,25)(H,23,26);2-4,6-7,10-12H,5,8-9H2,1H3,(H,21,25)(H,22,26);1-3,7-8,13,16H,4-6,9-12H2,(H,20,23)(H,21,24);2-4,6-7,10-12H,5,8-9H2,1H3,(H,19,24)(H,20,25);1,3,6-10H,2,4-5H2,(H,20,23)(H,21,24);1-3,5-6,9-10H,4,7-8H2,(H,17,23)(H,18,24)(H,19,20,22)/t;18-;;;;;;;;;/m.0........./s1
InChIKeyGGMPOOLQYDXAAA-ORLMUEMWSA-N
XLogP26.94
TPSA1145.02 Ų
H-Bond Donors25
H-Bond Acceptors60
Rotatable Bonds81
Heavy Atoms303
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004147.41
LogP ≤ 526.94
H-Bond Donors ≤ 525
H-Bond Acceptors ≤ 1060

Analyze N-[3-[[(2S)-2-amino-3-(3-hydroxyphenyl)propanoyl]amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(3,5-dimethylfuran-2-carbonyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(5-ethylfuran-2-carbonyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(2-fluoropyridine-3-carbonyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(5-fluoropyridine-3-carbonyl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(1-methylimidazole-4-carbonyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(6-methylpyrazine-2-carbonyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-(oxane-2-carbonylamino)propyl]-5-phenyl-1,2-oxazole-3-carboxamide;5-phenyl-N-[3-[(4-phenylpyridine-2-carbonyl)amino]propyl]-1,2-oxazole-3-carboxamide;5-phenyl-N-[3-(2H-triazole-4-carbonylamino)propyl]-1,2-oxazole-3-carboxamide;5-phenyl-N-[3-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]propyl]-1,2-oxazole-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[3-[[(2S)-2-amino-3-(3-hydroxyphenyl)propanoyl]amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(3,5-dimethylfuran-2-carbonyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(5-ethylfuran-2-carbonyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(2-fluoropyridine-3-carbonyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(5-fluoropyridine-3-carbonyl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(1-methylimidazole-4-carbonyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(6-methylpyrazine-2-carbonyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-(oxane-2-carbonylamino)propyl]-5-phenyl-1,2-oxazole-3-carboxamide;5-phenyl-N-[3-[(4-phenylpyridine-2-carbonyl)amino]propyl]-1,2-oxazole-3-carboxamide;5-phenyl-N-[3-(2H-triazole-4-carbonylamino)propyl]-1,2-oxazole-3-carboxamide;5-phenyl-N-[3-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]propyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[3-[[(2S)-2-amino-3-(3-hydroxyphenyl)propanoyl]amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(3,5-dimethylfuran-2-carbonyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(5-ethylfuran-2-carbonyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(2-fluoropyridine-3-carbonyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(5-fluoropyridine-3-carbonyl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(1-methylimidazole-4-carbonyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(6-methylpyrazine-2-carbonyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-(oxane-2-carbonylamino)propyl]-5-phenyl-1,2-oxazole-3-carboxamide;5-phenyl-N-[3-[(4-phenylpyridine-2-carbonyl)amino]propyl]-1,2-oxazole-3-carboxamide;5-phenyl-N-[3-(2H-triazole-4-carbonylamino)propyl]-1,2-oxazole-3-carboxamide;5-phenyl-N-[3-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]propyl]-1,2-oxazole-3-carboxamide (CID 158249167) is N-[3-[[(2S)-2-amino-3-(3-hydroxyphenyl)propanoyl]amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(3,5-dimethylfuran-2-carbonyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(5-ethylfuran-2-carbonyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(2-fluoropyridine-3-carbonyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(5-fluoropyridine-3-carbonyl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(1-methylimidazole-4-carbonyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(6-methylpyrazine-2-carbonyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-(oxane-2-carbonylamino)propyl]-5-phenyl-1,2-oxazole-3-carboxamide;5-phenyl-N-[3-[(4-phenylpyridine-2-carbonyl)amino]propyl]-1,2-oxazole-3-carboxamide;5-phenyl-N-[3-(2H-triazole-4-carbonylamino)propyl]-1,2-oxazole-3-carboxamide;5-phenyl-N-[3-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]propyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[3-[[(2S)-2-amino-3-(3-hydroxyphenyl)propanoyl]amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(3,5-dimethylfuran-2-carbonyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(5-ethylfuran-2-carbonyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(2-fluoropyridine-3-carbonyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(5-fluoropyridine-3-carbonyl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(1-methylimidazole-4-carbonyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(6-methylpyrazine-2-carbonyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-(oxane-2-carbonylamino)propyl]-5-phenyl-1,2-oxazole-3-carboxamide;5-phenyl-N-[3-[(4-phenylpyridine-2-carbonyl)amino]propyl]-1,2-oxazole-3-carboxamide;5-phenyl-N-[3-(2H-triazole-4-carbonylamino)propyl]-1,2-oxazole-3-carboxamide;5-phenyl-N-[3-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]propyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[3-[[(2S)-2-amino-3-(3-hydroxyphenyl)propanoyl]amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(3,5-dimethylfuran-2-carbonyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(5-ethylfuran-2-carbonyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(2-fluoropyridine-3-carbonyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(5-fluoropyridine-3-carbonyl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(1-methylimidazole-4-carbonyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(6-methylpyrazine-2-carbonyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-(oxane-2-carbonylamino)propyl]-5-phenyl-1,2-oxazole-3-carboxamide;5-phenyl-N-[3-[(4-phenylpyridine-2-carbonyl)amino]propyl]-1,2-oxazole-3-carboxamide;5-phenyl-N-[3-(2H-triazole-4-carbonylamino)propyl]-1,2-oxazole-3-carboxamide;5-phenyl-N-[3-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]propyl]-1,2-oxazole-3-carboxamide is CCc1ccc(C(=O)NCCCNC(=O)c2cc(-c3ccccc3)on2)o1.Cc1cc(C)c(C(=O)NCCCNC(=O)c2cc(-c3ccccc3)on2)o1.Cc1cncc(C(=O)NCCCNC(=O)c2cc(-c3ccccc3)on2)n1.Cn1cnc(C(=O)NCCCNC(=O)c2cc(-c3ccccc3)on2)c1.N[C@@H](Cc1cccc(O)c1)C(=O)NCCCNC(=O)c1cc(-c2ccccc2)on1.O=C(NCCCNC(=O)C1CCCCO1)c1cc(-c2ccccc2)on1.O=C(NCCCNC(=O)c1cc(-c2ccccc2)on1)c1cc(-c2ccccc2)ccn1.O=C(NCCCNC(=O)c1cc(-c2ccccc2)on1)c1cn[nH]n1.O=C(NCCCNC(=O)c1cc(-c2cccs2)on1)c1cncc(F)c1.O=C(NCCCNC(=O)c1cccc(C(F)(F)F)n1)c1cc(-c2ccccc2)on1.O=C(NCCCNC(=O)c1cccnc1F)c1cc(-c2ccccc2)on1.
What is the InChIKey of N-[3-[[(2S)-2-amino-3-(3-hydroxyphenyl)propanoyl]amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(3,5-dimethylfuran-2-carbonyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(5-ethylfuran-2-carbonyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(2-fluoropyridine-3-carbonyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(5-fluoropyridine-3-carbonyl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(1-methylimidazole-4-carbonyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(6-methylpyrazine-2-carbonyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-(oxane-2-carbonylamino)propyl]-5-phenyl-1,2-oxazole-3-carboxamide;5-phenyl-N-[3-[(4-phenylpyridine-2-carbonyl)amino]propyl]-1,2-oxazole-3-carboxamide;5-phenyl-N-[3-(2H-triazole-4-carbonylamino)propyl]-1,2-oxazole-3-carboxamide;5-phenyl-N-[3-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]propyl]-1,2-oxazole-3-carboxamide?
The InChIKey is GGMPOOLQYDXAAA-ORLMUEMWSA-N. The full InChI is InChI=1S/C25H22N4O3.C22H24N4O4.C20H17F3N4O3.2C20H21N3O4.C19H17FN4O3.C19H19N5O3.C19H23N3O4.C18H19N5O3.C17H15FN4O3S.C16H16N6O3/c30-24(21-16-20(12-15-26-21)18-8-3-1-4-9-18)27-13-7-14-28-25(31)22-17-23(32-29-22)19-10-5-2-6-11-19;23-18(13-15-6-4-9-17(27)12-15)21(28)24-10-5-11-25-22(29)19-14-20(30-26-19)16-7-2-1-3-8-16;21-20(22,23)17-9-4-8-14(26-17)18(28)24-10-5-11-25-19(29)15-12-16(30-27-15)13-6-2-1-3-7-13;1-13-11-14(2)26-18(13)20(25)22-10-6-9-21-19(24)16-12-17(27-23-16)15-7-4-3-5-8-15;1-2-15-9-10-17(26-15)20(25)22-12-6-11-21-19(24)16-13-18(27-23-16)14-7-4-3-5-8-14;20-17-14(8-4-9-21-17)18(25)22-10-5-11-23-19(26)15-12-16(27-24-15)13-6-2-1-3-7-13;1-13-11-20-12-16(23-13)19(26)22-9-5-8-21-18(25)15-10-17(27-24-15)14-6-3-2-4-7-14;23-18(15-13-17(26-22-15)14-7-2-1-3-8-14)20-10-6-11-21-19(24)16-9-4-5-12-25-16;1-23-11-15(21-12-23)18(25)20-9-5-8-19-17(24)14-10-16(26-22-14)13-6-3-2-4-7-13;18-12-7-11(9-19-10-12)16(23)20-4-2-5-21-17(24)13-8-14(25-22-13)15-3-1-6-26-15;23-15(12-9-14(25-21-12)11-5-2-1-3-6-11)17-7-4-8-18-16(24)13-10-19-22-20-13/h1-6,8-12,15-17H,7,13-14H2,(H,27,30)(H,28,31);1-4,6-9,12,14,18,27H,5,10-11,13,23H2,(H,24,28)(H,25,29);1-4,6-9,12H,5,10-11H2,(H,24,28)(H,25,29);3-5,7-8,11-12H,6,9-10H2,1-2H3,(H,21,24)(H,22,25);3-5,7-10,13H,2,6,11-12H2,1H3,(H,21,24)(H,22,25);1-4,6-9,12H,5,10-11H2,(H,22,25)(H,23,26);2-4,6-7,10-12H,5,8-9H2,1H3,(H,21,25)(H,22,26);1-3,7-8,13,16H,4-6,9-12H2,(H,20,23)(H,21,24);2-4,6-7,10-12H,5,8-9H2,1H3,(H,19,24)(H,20,25);1,3,6-10H,2,4-5H2,(H,20,23)(H,21,24);1-3,5-6,9-10H,4,7-8H2,(H,17,23)(H,18,24)(H,19,20,22)/t;18-;;;;;;;;;/m.0........./s1.
What are the key properties of N-[3-[[(2S)-2-amino-3-(3-hydroxyphenyl)propanoyl]amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(3,5-dimethylfuran-2-carbonyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(5-ethylfuran-2-carbonyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(2-fluoropyridine-3-carbonyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(5-fluoropyridine-3-carbonyl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(1-methylimidazole-4-carbonyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(6-methylpyrazine-2-carbonyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-(oxane-2-carbonylamino)propyl]-5-phenyl-1,2-oxazole-3-carboxamide;5-phenyl-N-[3-[(4-phenylpyridine-2-carbonyl)amino]propyl]-1,2-oxazole-3-carboxamide;5-phenyl-N-[3-(2H-triazole-4-carbonylamino)propyl]-1,2-oxazole-3-carboxamide;5-phenyl-N-[3-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]propyl]-1,2-oxazole-3-carboxamide?
N-[3-[[(2S)-2-amino-3-(3-hydroxyphenyl)propanoyl]amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(3,5-dimethylfuran-2-carbonyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(5-ethylfuran-2-carbonyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(2-fluoropyridine-3-carbonyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(5-fluoropyridine-3-carbonyl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(1-methylimidazole-4-carbonyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(6-methylpyrazine-2-carbonyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-(oxane-2-carbonylamino)propyl]-5-phenyl-1,2-oxazole-3-carboxamide;5-phenyl-N-[3-[(4-phenylpyridine-2-carbonyl)amino]propyl]-1,2-oxazole-3-carboxamide;5-phenyl-N-[3-(2H-triazole-4-carbonylamino)propyl]-1,2-oxazole-3-carboxamide;5-phenyl-N-[3-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]propyl]-1,2-oxazole-3-carboxamide has a molecular weight of 4147.41 g/mol, XLogP of 26.94, 81 rotatable bonds, 25 hydrogen bond donors, and 60 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(2S)-2-amino-3-(3-hydroxyphenyl)propanoyl]amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(3,5-dimethylfuran-2-carbonyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(5-ethylfuran-2-carbonyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(2-fluoropyridine-3-carbonyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(5-fluoropyridine-3-carbonyl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(1-methylimidazole-4-carbonyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(6-methylpyrazine-2-carbonyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-(oxane-2-carbonylamino)propyl]-5-phenyl-1,2-oxazole-3-carboxamide;5-phenyl-N-[3-[(4-phenylpyridine-2-carbonyl)amino]propyl]-1,2-oxazole-3-carboxamide;5-phenyl-N-[3-(2H-triazole-4-carbonylamino)propyl]-1,2-oxazole-3-carboxamide;5-phenyl-N-[3-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]propyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 158249167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).