N-[3-[(5-tert-butylfuran-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;bis(N-[3-[(2-fluoropyridine-3-carbonyl)amino]propyl]-5-phenyl-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

C197H196F5N41O33 — CID 158757201

IUPACN-[3-[(5-tert-butylfuran-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;bis(N-[3-[(2-fluoropyridine-3-carbonyl)amino]propyl]-5-phenyl-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
SMILESCC(C)(C)c1ccc(C(=O)NCCCNC(=O)c2cc(-c3ccccc3)on2)o1.CCc1ccc(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.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)c1cccc(C(F)(F)F)n1)c1cc(-c2ccccc2)on1.O=C(NCCCNC(=O)c1cccnc1F)c1cc(-c2ccccc2)on1.O=C(NCCCNC(=O)c1cccnc1F)c1cc(-c2ccccc2)on1
InChIInChI=1S/C25H22N4O3.C22H25N3O4.C20H17F3N4O3.C20H21N3O4.2C19H17FN4O3.C19H19N5O3.C19H23N3O4.C18H19N5O3.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;1-22(2,3)19-11-10-17(28-19)21(27)24-13-7-12-23-20(26)16-14-18(29-25-16)15-8-5-4-6-9-15;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;1-2-15-9-10-17(26-15)20(25)22-12-6-11-21-19(24)16-13-18(27-23-16)14-7-4-3-5-8-14;2*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;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);4-6,8-11,14H,7,12-13H2,1-3H3,(H,23,26)(H,24,27);1-4,6-9,12H,5,10-11H2,(H,24,28)(H,25,29);3-5,7-10,13H,2,6,11-12H2,1H3,(H,21,24)(H,22,25);2*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);1-3,5-6,9-10H,4,7-8H2,(H,17,23)(H,18,24)(H,19,20,22)
InChIKeyIOFIJSIUIFYQGT-UHFFFAOYSA-N
MW3760.98 g/mol
LogP25.71
Rot. Bonds72

About N-[3-[(5-tert-butylfuran-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;bis(N-[3-[(2-fluoropyridine-3-carbonyl)amino]propyl]-5-phenyl-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-[(5-tert-butylfuran-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;bis(N-[3-[(2-fluoropyridine-3-carbonyl)amino]propyl]-5-phenyl-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 158757201) has the molecular formula C197H196F5N41O33 and a molecular weight of 3760.98 g/mol. Its IUPAC name is N-[3-[(5-tert-butylfuran-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;bis(N-[3-[(2-fluoropyridine-3-carbonyl)amino]propyl]-5-phenyl-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-[(5-tert-butylfuran-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;bis(N-[3-[(2-fluoropyridine-3-carbonyl)amino]propyl]-5-phenyl-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 CID158757201
Molecular FormulaC197H196F5N41O33
Molecular Weight3760.98 g/mol
Exact Mass3758.48
IUPAC NameN-[3-[(5-tert-butylfuran-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;bis(N-[3-[(2-fluoropyridine-3-carbonyl)amino]propyl]-5-phenyl-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
SMILESCC(C)(C)c1ccc(C(=O)NCCCNC(=O)c2cc(-c3ccccc3)on2)o1.CCc1ccc(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.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)c1cccc(C(F)(F)F)n1)c1cc(-c2ccccc2)on1.O=C(NCCCNC(=O)c1cccnc1F)c1cc(-c2ccccc2)on1.O=C(NCCCNC(=O)c1cccnc1F)c1cc(-c2ccccc2)on1
InChIInChI=1S/C25H22N4O3.C22H25N3O4.C20H17F3N4O3.C20H21N3O4.2C19H17FN4O3.C19H19N5O3.C19H23N3O4.C18H19N5O3.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;1-22(2,3)19-11-10-17(28-19)21(27)24-13-7-12-23-20(26)16-14-18(29-25-16)15-8-5-4-6-9-15;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;1-2-15-9-10-17(26-15)20(25)22-12-6-11-21-19(24)16-13-18(27-23-16)14-7-4-3-5-8-14;2*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;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);4-6,8-11,14H,7,12-13H2,1-3H3,(H,23,26)(H,24,27);1-4,6-9,12H,5,10-11H2,(H,24,28)(H,25,29);3-5,7-10,13H,2,6,11-12H2,1H3,(H,21,24)(H,22,25);2*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);1-3,5-6,9-10H,4,7-8H2,(H,17,23)(H,18,24)(H,19,20,22)
InChIKeyIOFIJSIUIFYQGT-UHFFFAOYSA-N
XLogP25.71
TPSA1014.54 Ų
H-Bond Donors21
H-Bond Acceptors53
Rotatable Bonds72
Heavy Atoms276
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003760.98
LogP ≤ 525.71
H-Bond Donors ≤ 521
H-Bond Acceptors ≤ 1053

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[3-[(5-tert-butylfuran-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;bis(N-[3-[(2-fluoropyridine-3-carbonyl)amino]propyl]-5-phenyl-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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Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-[3-[(5-tert-butylfuran-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;bis(N-[3-[(2-fluoropyridine-3-carbonyl)amino]propyl]-5-phenyl-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-[(5-tert-butylfuran-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;bis(N-[3-[(2-fluoropyridine-3-carbonyl)amino]propyl]-5-phenyl-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 158757201) is N-[3-[(5-tert-butylfuran-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;bis(N-[3-[(2-fluoropyridine-3-carbonyl)amino]propyl]-5-phenyl-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-[(5-tert-butylfuran-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;bis(N-[3-[(2-fluoropyridine-3-carbonyl)amino]propyl]-5-phenyl-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-[(5-tert-butylfuran-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;bis(N-[3-[(2-fluoropyridine-3-carbonyl)amino]propyl]-5-phenyl-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 CC(C)(C)c1ccc(C(=O)NCCCNC(=O)c2cc(-c3ccccc3)on2)o1.CCc1ccc(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.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)c1cccc(C(F)(F)F)n1)c1cc(-c2ccccc2)on1.O=C(NCCCNC(=O)c1cccnc1F)c1cc(-c2ccccc2)on1.O=C(NCCCNC(=O)c1cccnc1F)c1cc(-c2ccccc2)on1.
What is the InChIKey of N-[3-[(5-tert-butylfuran-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;bis(N-[3-[(2-fluoropyridine-3-carbonyl)amino]propyl]-5-phenyl-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 IOFIJSIUIFYQGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O3.C22H25N3O4.C20H17F3N4O3.C20H21N3O4.2C19H17FN4O3.C19H19N5O3.C19H23N3O4.C18H19N5O3.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;1-22(2,3)19-11-10-17(28-19)21(27)24-13-7-12-23-20(26)16-14-18(29-25-16)15-8-5-4-6-9-15;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;1-2-15-9-10-17(26-15)20(25)22-12-6-11-21-19(24)16-13-18(27-23-16)14-7-4-3-5-8-14;2*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;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);4-6,8-11,14H,7,12-13H2,1-3H3,(H,23,26)(H,24,27);1-4,6-9,12H,5,10-11H2,(H,24,28)(H,25,29);3-5,7-10,13H,2,6,11-12H2,1H3,(H,21,24)(H,22,25);2*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);1-3,5-6,9-10H,4,7-8H2,(H,17,23)(H,18,24)(H,19,20,22).
What are the key properties of N-[3-[(5-tert-butylfuran-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;bis(N-[3-[(2-fluoropyridine-3-carbonyl)amino]propyl]-5-phenyl-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-[(5-tert-butylfuran-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;bis(N-[3-[(2-fluoropyridine-3-carbonyl)amino]propyl]-5-phenyl-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 3760.98 g/mol, XLogP of 25.71, 72 rotatable bonds, 21 hydrogen bond donors, and 53 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(5-tert-butylfuran-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;bis(N-[3-[(2-fluoropyridine-3-carbonyl)amino]propyl]-5-phenyl-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 158757201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).