(4S,5S)-2-(4-amino-2-hydroxyphenyl)-N-ethyl-5-methyl-4,5-dihydro-1,3-oxazole-4-carboxamide;carbanide;ethanamine;N-[(2S,3R)-1-(ethylamino)-3-hydroxy-1-oxobutan-2-yl]-2-methoxy-4-nitrobenzamide;(2S)-N-ethyl-2-[(1R)-1-hydroxyethyl]-4-(2-hydroxy-4-nitrophenyl)-4-oxobutanamide;(4S,5S)-N-ethyl-2-(2-hydroxy-4-nitrophenyl)-5-methyl-4,5-dihydro-1,3-oxazole-4-carboxamide;(4S,5S)-N-ethyl-2-(2-methoxy-4-nitrophenyl)-5-methyl-4,5-dihydro-1,3-oxazole-4-carboxamide;(2S,3R)-3-hydroxy-2-[(2-methoxy-4-nitrobenzoyl)amino]butanoic acid;2-hydroxy-4-nitrobenzoic acid;methyl (2S,3R)-3-hydroxy-2-[(2-methoxy-4-nitrobenzoyl)amino]butanoate;methyl 2-hydroxy-4-nitrobenzoate;methyl 2-methyl-4-nitrobenzoate;2-methyl-4-nitrobenzoic acid;palladium

C128H154N23O57Pd- — CID 157108575

IUPAC(4S,5S)-2-(4-amino-2-hydroxyphenyl)-N-ethyl-5-methyl-4,5-dihydro-1,3-oxazole-4-carboxamide;carbanide;ethanamine;N-[(2S,3R)-1-(ethylamino)-3-hydroxy-1-oxobutan-2-yl]-2-methoxy-4-nitrobenzamide;(2S)-N-ethyl-2-[(1R)-1-hydroxyethyl]-4-(2-hydroxy-4-nitrophenyl)-4-oxobutanamide;(4S,5S)-N-ethyl-2-(2-hydroxy-4-nitrophenyl)-5-methyl-4,5-dihydro-1,3-oxazole-4-carboxamide;(4S,5S)-N-ethyl-2-(2-methoxy-4-nitrophenyl)-5-methyl-4,5-dihydro-1,3-oxazole-4-carboxamide;(2S,3R)-3-hydroxy-2-[(2-methoxy-4-nitrobenzoyl)amino]butanoic acid;2-hydroxy-4-nitrobenzoic acid;methyl (2S,3R)-3-hydroxy-2-[(2-methoxy-4-nitrobenzoyl)amino]butanoate;methyl 2-hydroxy-4-nitrobenzoate;methyl 2-methyl-4-nitrobenzoate;2-methyl-4-nitrobenzoic acid;palladium
SMILESCCN.CCNC(=O)[C@@H](CC(=O)c1ccc([N+](=O)[O-])cc1O)[C@@H](C)O.CCNC(=O)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1OC)[C@@H](C)O.CCNC(=O)[C@H]1N=C(c2ccc(N)cc2O)O[C@H]1C.CCNC(=O)[C@H]1N=C(c2ccc([N+](=O)[O-])cc2O)O[C@H]1C.CCNC(=O)[C@H]1N=C(c2ccc([N+](=O)[O-])cc2OC)O[C@H]1C.COC(=O)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1OC)[C@@H](C)O.COC(=O)c1ccc([N+](=O)[O-])cc1C.COC(=O)c1ccc([N+](=O)[O-])cc1O.COc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](C(=O)O)[C@@H](C)O.Cc1cc([N+](=O)[O-])ccc1C(=O)O.O=C(O)c1ccc([N+](=O)[O-])cc1O.[CH3-].[Pd]
InChIInChI=1S/C14H19N3O6.C14H17N3O5.C14H18N2O6.C13H15N3O5.C13H17N3O3.C13H16N2O7.C12H14N2O7.C9H9NO4.C8H7NO5.C8H7NO4.C7H5NO5.C2H7N.CH3.Pd/c1-4-15-14(20)12(8(2)18)16-13(19)10-6-5-9(17(21)22)7-11(10)23-3;1-4-15-13(18)12-8(2)22-14(16-12)10-6-5-9(17(19)20)7-11(10)21-3;1-3-15-14(20)11(8(2)17)7-13(19)10-5-4-9(16(21)22)6-12(10)18;1-3-14-12(18)11-7(2)21-13(15-11)9-5-4-8(16(19)20)6-10(9)17;1-3-15-12(18)11-7(2)19-13(16-11)9-5-4-8(14)6-10(9)17;1-7(16)11(13(18)22-3)14-12(17)9-5-4-8(15(19)20)6-10(9)21-2;1-6(15)10(12(17)18)13-11(16)8-4-3-7(14(19)20)5-9(8)21-2;1-6-5-7(10(12)13)3-4-8(6)9(11)14-2;1-14-8(11)6-3-2-5(9(12)13)4-7(6)10;1-5-4-6(9(12)13)2-3-7(5)8(10)11;9-6-3-4(8(12)13)1-2-5(6)7(10)11;1-2-3;;/h5-8,12,18H,4H2,1-3H3,(H,15,20)(H,16,19);5-8,12H,4H2,1-3H3,(H,15,18);4-6,8,11,17-18H,3,7H2,1-2H3,(H,15,20);4-7,11,17H,3H2,1-2H3,(H,14,18);4-7,11,17H,3,14H2,1-2H3,(H,15,18);4-7,11,16H,1-3H3,(H,14,17);3-6,10,15H,1-2H3,(H,13,16)(H,17,18);3-5H,1-2H3;2-4,10H,1H3;2-4H,1H3,(H,10,11);1-3,9H,(H,10,11);2-3H2,1H3;1H3;/q;;;;;;;;;;;;-1;/t8-,12+;8-,12-;8-,11+;2*7-,11-;7-,11+;6-,10+;;;;;;;/m1010011......./s1
InChIKeyYGNCGYXJCPHUTA-XBAUTDPNSA-N
MW3033.16 g/mol
LogP10.33
Rot. Bonds46

About (4S,5S)-2-(4-amino-2-hydroxyphenyl)-N-ethyl-5-methyl-4,5-dihydro-1,3-oxazole-4-carboxamide;carbanide;ethanamine;N-[(2S,3R)-1-(ethylamino)-3-hydroxy-1-oxobutan-2-yl]-2-methoxy-4-nitrobenzamide;(2S)-N-ethyl-2-[(1R)-1-hydroxyethyl]-4-(2-hydroxy-4-nitrophenyl)-4-oxobutanamide;(4S,5S)-N-ethyl-2-(2-hydroxy-4-nitrophenyl)-5-methyl-4,5-dihydro-1,3-oxazole-4-carboxamide;(4S,5S)-N-ethyl-2-(2-methoxy-4-nitrophenyl)-5-methyl-4,5-dihydro-1,3-oxazole-4-carboxamide;(2S,3R)-3-hydroxy-2-[(2-methoxy-4-nitrobenzoyl)amino]butanoic acid;2-hydroxy-4-nitrobenzoic acid;methyl (2S,3R)-3-hydroxy-2-[(2-methoxy-4-nitrobenzoyl)amino]butanoate;methyl 2-hydroxy-4-nitrobenzoate;methyl 2-methyl-4-nitrobenzoate;2-methyl-4-nitrobenzoic acid;palladium

(4S,5S)-2-(4-amino-2-hydroxyphenyl)-N-ethyl-5-methyl-4,5-dihydro-1,3-oxazole-4-carboxamide;carbanide;ethanamine;N-[(2S,3R)-1-(ethylamino)-3-hydroxy-1-oxobutan-2-yl]-2-methoxy-4-nitrobenzamide;(2S)-N-ethyl-2-[(1R)-1-hydroxyethyl]-4-(2-hydroxy-4-nitrophenyl)-4-oxobutanamide;(4S,5S)-N-ethyl-2-(2-hydroxy-4-nitrophenyl)-5-methyl-4,5-dihydro-1,3-oxazole-4-carboxamide;(4S,5S)-N-ethyl-2-(2-methoxy-4-nitrophenyl)-5-methyl-4,5-dihydro-1,3-oxazole-4-carboxamide;(2S,3R)-3-hydroxy-2-[(2-methoxy-4-nitrobenzoyl)amino]butanoic acid;2-hydroxy-4-nitrobenzoic acid;methyl (2S,3R)-3-hydroxy-2-[(2-methoxy-4-nitrobenzoyl)amino]butanoate;methyl 2-hydroxy-4-nitrobenzoate;methyl 2-methyl-4-nitrobenzoate;2-methyl-4-nitrobenzoic acid;palladium (PubChem CID 157108575) has the molecular formula C128H154N23O57Pd- and a molecular weight of 3033.16 g/mol. Its IUPAC name is (4S,5S)-2-(4-amino-2-hydroxyphenyl)-N-ethyl-5-methyl-4,5-dihydro-1,3-oxazole-4-carboxamide;carbanide;ethanamine;N-[(2S,3R)-1-(ethylamino)-3-hydroxy-1-oxobutan-2-yl]-2-methoxy-4-nitrobenzamide;(2S)-N-ethyl-2-[(1R)-1-hydroxyethyl]-4-(2-hydroxy-4-nitrophenyl)-4-oxobutanamide;(4S,5S)-N-ethyl-2-(2-hydroxy-4-nitrophenyl)-5-methyl-4,5-dihydro-1,3-oxazole-4-carboxamide;(4S,5S)-N-ethyl-2-(2-methoxy-4-nitrophenyl)-5-methyl-4,5-dihydro-1,3-oxazole-4-carboxamide;(2S,3R)-3-hydroxy-2-[(2-methoxy-4-nitrobenzoyl)amino]butanoic acid;2-hydroxy-4-nitrobenzoic acid;methyl (2S,3R)-3-hydroxy-2-[(2-methoxy-4-nitrobenzoyl)amino]butanoate;methyl 2-hydroxy-4-nitrobenzoate;methyl 2-methyl-4-nitrobenzoate;2-methyl-4-nitrobenzoic acid;palladium.

Molecular Properties

Compound Name(4S,5S)-2-(4-amino-2-hydroxyphenyl)-N-ethyl-5-methyl-4,5-dihydro-1,3-oxazole-4-carboxamide;carbanide;ethanamine;N-[(2S,3R)-1-(ethylamino)-3-hydroxy-1-oxobutan-2-yl]-2-methoxy-4-nitrobenzamide;(2S)-N-ethyl-2-[(1R)-1-hydroxyethyl]-4-(2-hydroxy-4-nitrophenyl)-4-oxobutanamide;(4S,5S)-N-ethyl-2-(2-hydroxy-4-nitrophenyl)-5-methyl-4,5-dihydro-1,3-oxazole-4-carboxamide;(4S,5S)-N-ethyl-2-(2-methoxy-4-nitrophenyl)-5-methyl-4,5-dihydro-1,3-oxazole-4-carboxamide;(2S,3R)-3-hydroxy-2-[(2-methoxy-4-nitrobenzoyl)amino]butanoic acid;2-hydroxy-4-nitrobenzoic acid;methyl (2S,3R)-3-hydroxy-2-[(2-methoxy-4-nitrobenzoyl)amino]butanoate;methyl 2-hydroxy-4-nitrobenzoate;methyl 2-methyl-4-nitrobenzoate;2-methyl-4-nitrobenzoic acid;palladium
PubChem CID157108575
Molecular FormulaC128H154N23O57Pd-
Molecular Weight3033.16 g/mol
Exact Mass3030.89
IUPAC Name(4S,5S)-2-(4-amino-2-hydroxyphenyl)-N-ethyl-5-methyl-4,5-dihydro-1,3-oxazole-4-carboxamide;carbanide;ethanamine;N-[(2S,3R)-1-(ethylamino)-3-hydroxy-1-oxobutan-2-yl]-2-methoxy-4-nitrobenzamide;(2S)-N-ethyl-2-[(1R)-1-hydroxyethyl]-4-(2-hydroxy-4-nitrophenyl)-4-oxobutanamide;(4S,5S)-N-ethyl-2-(2-hydroxy-4-nitrophenyl)-5-methyl-4,5-dihydro-1,3-oxazole-4-carboxamide;(4S,5S)-N-ethyl-2-(2-methoxy-4-nitrophenyl)-5-methyl-4,5-dihydro-1,3-oxazole-4-carboxamide;(2S,3R)-3-hydroxy-2-[(2-methoxy-4-nitrobenzoyl)amino]butanoic acid;2-hydroxy-4-nitrobenzoic acid;methyl (2S,3R)-3-hydroxy-2-[(2-methoxy-4-nitrobenzoyl)amino]butanoate;methyl 2-hydroxy-4-nitrobenzoate;methyl 2-methyl-4-nitrobenzoate;2-methyl-4-nitrobenzoic acid;palladium
SMILESCCN.CCNC(=O)[C@@H](CC(=O)c1ccc([N+](=O)[O-])cc1O)[C@@H](C)O.CCNC(=O)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1OC)[C@@H](C)O.CCNC(=O)[C@H]1N=C(c2ccc(N)cc2O)O[C@H]1C.CCNC(=O)[C@H]1N=C(c2ccc([N+](=O)[O-])cc2O)O[C@H]1C.CCNC(=O)[C@H]1N=C(c2ccc([N+](=O)[O-])cc2OC)O[C@H]1C.COC(=O)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1OC)[C@@H](C)O.COC(=O)c1ccc([N+](=O)[O-])cc1C.COC(=O)c1ccc([N+](=O)[O-])cc1O.COc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](C(=O)O)[C@@H](C)O.Cc1cc([N+](=O)[O-])ccc1C(=O)O.O=C(O)c1ccc([N+](=O)[O-])cc1O.[CH3-].[Pd]
InChIInChI=1S/C14H19N3O6.C14H17N3O5.C14H18N2O6.C13H15N3O5.C13H17N3O3.C13H16N2O7.C12H14N2O7.C9H9NO4.C8H7NO5.C8H7NO4.C7H5NO5.C2H7N.CH3.Pd/c1-4-15-14(20)12(8(2)18)16-13(19)10-6-5-9(17(21)22)7-11(10)23-3;1-4-15-13(18)12-8(2)22-14(16-12)10-6-5-9(17(19)20)7-11(10)21-3;1-3-15-14(20)11(8(2)17)7-13(19)10-5-4-9(16(21)22)6-12(10)18;1-3-14-12(18)11-7(2)21-13(15-11)9-5-4-8(16(19)20)6-10(9)17;1-3-15-12(18)11-7(2)19-13(16-11)9-5-4-8(14)6-10(9)17;1-7(16)11(13(18)22-3)14-12(17)9-5-4-8(15(19)20)6-10(9)21-2;1-6(15)10(12(17)18)13-11(16)8-4-3-7(14(19)20)5-9(8)21-2;1-6-5-7(10(12)13)3-4-8(6)9(11)14-2;1-14-8(11)6-3-2-5(9(12)13)4-7(6)10;1-5-4-6(9(12)13)2-3-7(5)8(10)11;9-6-3-4(8(12)13)1-2-5(6)7(10)11;1-2-3;;/h5-8,12,18H,4H2,1-3H3,(H,15,20)(H,16,19);5-8,12H,4H2,1-3H3,(H,15,18);4-6,8,11,17-18H,3,7H2,1-2H3,(H,15,20);4-7,11,17H,3H2,1-2H3,(H,14,18);4-7,11,17H,3,14H2,1-2H3,(H,15,18);4-7,11,16H,1-3H3,(H,14,17);3-6,10,15H,1-2H3,(H,13,16)(H,17,18);3-5H,1-2H3;2-4,10H,1H3;2-4H,1H3,(H,10,11);1-3,9H,(H,10,11);2-3H2,1H3;1H3;/q;;;;;;;;;;;;-1;/t8-,12+;8-,12-;8-,11+;2*7-,11-;7-,11+;6-,10+;;;;;;;/m1010011......./s1
InChIKeyYGNCGYXJCPHUTA-XBAUTDPNSA-N
XLogP10.33
TPSA1207.87 Ų
H-Bond Donors22
H-Bond Acceptors59
Rotatable Bonds46
Heavy Atoms209
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003033.16
LogP ≤ 510.33
H-Bond Donors ≤ 522
H-Bond Acceptors ≤ 1059

Analyze (4S,5S)-2-(4-amino-2-hydroxyphenyl)-N-ethyl-5-methyl-4,5-dihydro-1,3-oxazole-4-carboxamide;carbanide;ethanamine;N-[(2S,3R)-1-(ethylamino)-3-hydroxy-1-oxobutan-2-yl]-2-methoxy-4-nitrobenzamide;(2S)-N-ethyl-2-[(1R)-1-hydroxyethyl]-4-(2-hydroxy-4-nitrophenyl)-4-oxobutanamide;(4S,5S)-N-ethyl-2-(2-hydroxy-4-nitrophenyl)-5-methyl-4,5-dihydro-1,3-oxazole-4-carboxamide;(4S,5S)-N-ethyl-2-(2-methoxy-4-nitrophenyl)-5-methyl-4,5-dihydro-1,3-oxazole-4-carboxamide;(2S,3R)-3-hydroxy-2-[(2-methoxy-4-nitrobenzoyl)amino]butanoic acid;2-hydroxy-4-nitrobenzoic acid;methyl (2S,3R)-3-hydroxy-2-[(2-methoxy-4-nitrobenzoyl)amino]butanoate;methyl 2-hydroxy-4-nitrobenzoate;methyl 2-methyl-4-nitrobenzoate;2-methyl-4-nitrobenzoic acid;palladium with MolForge

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Related Compounds

(4S,5S)-N-ethyl-5-methyl-2-(4-nitro-2-phenylmethoxyphenyl)-4,5-dihydro-1,3-oxazole-4-carboxamide
CID 90338367
N-(2-amino-1-cyclopropylethyl)-2-methoxy-4-nitrobenzamide
CID 104783824
N-(1,3-dihydroxypropan-2-yl)-2-methoxy-4-nitrobenzamide
CID 104783674
methyl 2-methoxy-4-nitrobenzoate
CID 10798535
2-[(2-chloro-4-nitrobenzoyl)amino]-3-hydroxybutanoic acid
CID 43238714
N-[(2S)-2-hydroxypropyl]-2-methoxy-4-nitrobenzamide
CID 113452647
methyl 5-[(2-hydroxy-4-nitrobenzoyl)amino]-2,4-dimethylbenzoate
CID 167912394
N-(2-amino-3-methylbutyl)-2-methoxy-4-nitrobenzamide
CID 104783820
N-(2-bromoethyl)-2-methoxy-4-nitrobenzamide
CID 104783551
2-[[(2-methoxy-4-nitrobenzoyl)amino]methyl]butanoic acid
CID 104783302
N-(5-ethyl-1H-pyrazol-3-yl)-2-methoxy-4-nitrobenzamide
CID 104783753
N-(1-cyanopropyl)-2-methoxy-4-nitrobenzamide
CID 104783373

Frequently Asked Questions

What is the IUPAC name of (4S,5S)-2-(4-amino-2-hydroxyphenyl)-N-ethyl-5-methyl-4,5-dihydro-1,3-oxazole-4-carboxamide;carbanide;ethanamine;N-[(2S,3R)-1-(ethylamino)-3-hydroxy-1-oxobutan-2-yl]-2-methoxy-4-nitrobenzamide;(2S)-N-ethyl-2-[(1R)-1-hydroxyethyl]-4-(2-hydroxy-4-nitrophenyl)-4-oxobutanamide;(4S,5S)-N-ethyl-2-(2-hydroxy-4-nitrophenyl)-5-methyl-4,5-dihydro-1,3-oxazole-4-carboxamide;(4S,5S)-N-ethyl-2-(2-methoxy-4-nitrophenyl)-5-methyl-4,5-dihydro-1,3-oxazole-4-carboxamide;(2S,3R)-3-hydroxy-2-[(2-methoxy-4-nitrobenzoyl)amino]butanoic acid;2-hydroxy-4-nitrobenzoic acid;methyl (2S,3R)-3-hydroxy-2-[(2-methoxy-4-nitrobenzoyl)amino]butanoate;methyl 2-hydroxy-4-nitrobenzoate;methyl 2-methyl-4-nitrobenzoate;2-methyl-4-nitrobenzoic acid;palladium?
The IUPAC name of (4S,5S)-2-(4-amino-2-hydroxyphenyl)-N-ethyl-5-methyl-4,5-dihydro-1,3-oxazole-4-carboxamide;carbanide;ethanamine;N-[(2S,3R)-1-(ethylamino)-3-hydroxy-1-oxobutan-2-yl]-2-methoxy-4-nitrobenzamide;(2S)-N-ethyl-2-[(1R)-1-hydroxyethyl]-4-(2-hydroxy-4-nitrophenyl)-4-oxobutanamide;(4S,5S)-N-ethyl-2-(2-hydroxy-4-nitrophenyl)-5-methyl-4,5-dihydro-1,3-oxazole-4-carboxamide;(4S,5S)-N-ethyl-2-(2-methoxy-4-nitrophenyl)-5-methyl-4,5-dihydro-1,3-oxazole-4-carboxamide;(2S,3R)-3-hydroxy-2-[(2-methoxy-4-nitrobenzoyl)amino]butanoic acid;2-hydroxy-4-nitrobenzoic acid;methyl (2S,3R)-3-hydroxy-2-[(2-methoxy-4-nitrobenzoyl)amino]butanoate;methyl 2-hydroxy-4-nitrobenzoate;methyl 2-methyl-4-nitrobenzoate;2-methyl-4-nitrobenzoic acid;palladium (CID 157108575) is (4S,5S)-2-(4-amino-2-hydroxyphenyl)-N-ethyl-5-methyl-4,5-dihydro-1,3-oxazole-4-carboxamide;carbanide;ethanamine;N-[(2S,3R)-1-(ethylamino)-3-hydroxy-1-oxobutan-2-yl]-2-methoxy-4-nitrobenzamide;(2S)-N-ethyl-2-[(1R)-1-hydroxyethyl]-4-(2-hydroxy-4-nitrophenyl)-4-oxobutanamide;(4S,5S)-N-ethyl-2-(2-hydroxy-4-nitrophenyl)-5-methyl-4,5-dihydro-1,3-oxazole-4-carboxamide;(4S,5S)-N-ethyl-2-(2-methoxy-4-nitrophenyl)-5-methyl-4,5-dihydro-1,3-oxazole-4-carboxamide;(2S,3R)-3-hydroxy-2-[(2-methoxy-4-nitrobenzoyl)amino]butanoic acid;2-hydroxy-4-nitrobenzoic acid;methyl (2S,3R)-3-hydroxy-2-[(2-methoxy-4-nitrobenzoyl)amino]butanoate;methyl 2-hydroxy-4-nitrobenzoate;methyl 2-methyl-4-nitrobenzoate;2-methyl-4-nitrobenzoic acid;palladium.
What is the SMILES notation for (4S,5S)-2-(4-amino-2-hydroxyphenyl)-N-ethyl-5-methyl-4,5-dihydro-1,3-oxazole-4-carboxamide;carbanide;ethanamine;N-[(2S,3R)-1-(ethylamino)-3-hydroxy-1-oxobutan-2-yl]-2-methoxy-4-nitrobenzamide;(2S)-N-ethyl-2-[(1R)-1-hydroxyethyl]-4-(2-hydroxy-4-nitrophenyl)-4-oxobutanamide;(4S,5S)-N-ethyl-2-(2-hydroxy-4-nitrophenyl)-5-methyl-4,5-dihydro-1,3-oxazole-4-carboxamide;(4S,5S)-N-ethyl-2-(2-methoxy-4-nitrophenyl)-5-methyl-4,5-dihydro-1,3-oxazole-4-carboxamide;(2S,3R)-3-hydroxy-2-[(2-methoxy-4-nitrobenzoyl)amino]butanoic acid;2-hydroxy-4-nitrobenzoic acid;methyl (2S,3R)-3-hydroxy-2-[(2-methoxy-4-nitrobenzoyl)amino]butanoate;methyl 2-hydroxy-4-nitrobenzoate;methyl 2-methyl-4-nitrobenzoate;2-methyl-4-nitrobenzoic acid;palladium?
The canonical SMILES for (4S,5S)-2-(4-amino-2-hydroxyphenyl)-N-ethyl-5-methyl-4,5-dihydro-1,3-oxazole-4-carboxamide;carbanide;ethanamine;N-[(2S,3R)-1-(ethylamino)-3-hydroxy-1-oxobutan-2-yl]-2-methoxy-4-nitrobenzamide;(2S)-N-ethyl-2-[(1R)-1-hydroxyethyl]-4-(2-hydroxy-4-nitrophenyl)-4-oxobutanamide;(4S,5S)-N-ethyl-2-(2-hydroxy-4-nitrophenyl)-5-methyl-4,5-dihydro-1,3-oxazole-4-carboxamide;(4S,5S)-N-ethyl-2-(2-methoxy-4-nitrophenyl)-5-methyl-4,5-dihydro-1,3-oxazole-4-carboxamide;(2S,3R)-3-hydroxy-2-[(2-methoxy-4-nitrobenzoyl)amino]butanoic acid;2-hydroxy-4-nitrobenzoic acid;methyl (2S,3R)-3-hydroxy-2-[(2-methoxy-4-nitrobenzoyl)amino]butanoate;methyl 2-hydroxy-4-nitrobenzoate;methyl 2-methyl-4-nitrobenzoate;2-methyl-4-nitrobenzoic acid;palladium is CCN.CCNC(=O)[C@@H](CC(=O)c1ccc([N+](=O)[O-])cc1O)[C@@H](C)O.CCNC(=O)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1OC)[C@@H](C)O.CCNC(=O)[C@H]1N=C(c2ccc(N)cc2O)O[C@H]1C.CCNC(=O)[C@H]1N=C(c2ccc([N+](=O)[O-])cc2O)O[C@H]1C.CCNC(=O)[C@H]1N=C(c2ccc([N+](=O)[O-])cc2OC)O[C@H]1C.COC(=O)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1OC)[C@@H](C)O.COC(=O)c1ccc([N+](=O)[O-])cc1C.COC(=O)c1ccc([N+](=O)[O-])cc1O.COc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](C(=O)O)[C@@H](C)O.Cc1cc([N+](=O)[O-])ccc1C(=O)O.O=C(O)c1ccc([N+](=O)[O-])cc1O.[CH3-].[Pd].
What is the InChIKey of (4S,5S)-2-(4-amino-2-hydroxyphenyl)-N-ethyl-5-methyl-4,5-dihydro-1,3-oxazole-4-carboxamide;carbanide;ethanamine;N-[(2S,3R)-1-(ethylamino)-3-hydroxy-1-oxobutan-2-yl]-2-methoxy-4-nitrobenzamide;(2S)-N-ethyl-2-[(1R)-1-hydroxyethyl]-4-(2-hydroxy-4-nitrophenyl)-4-oxobutanamide;(4S,5S)-N-ethyl-2-(2-hydroxy-4-nitrophenyl)-5-methyl-4,5-dihydro-1,3-oxazole-4-carboxamide;(4S,5S)-N-ethyl-2-(2-methoxy-4-nitrophenyl)-5-methyl-4,5-dihydro-1,3-oxazole-4-carboxamide;(2S,3R)-3-hydroxy-2-[(2-methoxy-4-nitrobenzoyl)amino]butanoic acid;2-hydroxy-4-nitrobenzoic acid;methyl (2S,3R)-3-hydroxy-2-[(2-methoxy-4-nitrobenzoyl)amino]butanoate;methyl 2-hydroxy-4-nitrobenzoate;methyl 2-methyl-4-nitrobenzoate;2-methyl-4-nitrobenzoic acid;palladium?
The InChIKey is YGNCGYXJCPHUTA-XBAUTDPNSA-N. The full InChI is InChI=1S/C14H19N3O6.C14H17N3O5.C14H18N2O6.C13H15N3O5.C13H17N3O3.C13H16N2O7.C12H14N2O7.C9H9NO4.C8H7NO5.C8H7NO4.C7H5NO5.C2H7N.CH3.Pd/c1-4-15-14(20)12(8(2)18)16-13(19)10-6-5-9(17(21)22)7-11(10)23-3;1-4-15-13(18)12-8(2)22-14(16-12)10-6-5-9(17(19)20)7-11(10)21-3;1-3-15-14(20)11(8(2)17)7-13(19)10-5-4-9(16(21)22)6-12(10)18;1-3-14-12(18)11-7(2)21-13(15-11)9-5-4-8(16(19)20)6-10(9)17;1-3-15-12(18)11-7(2)19-13(16-11)9-5-4-8(14)6-10(9)17;1-7(16)11(13(18)22-3)14-12(17)9-5-4-8(15(19)20)6-10(9)21-2;1-6(15)10(12(17)18)13-11(16)8-4-3-7(14(19)20)5-9(8)21-2;1-6-5-7(10(12)13)3-4-8(6)9(11)14-2;1-14-8(11)6-3-2-5(9(12)13)4-7(6)10;1-5-4-6(9(12)13)2-3-7(5)8(10)11;9-6-3-4(8(12)13)1-2-5(6)7(10)11;1-2-3;;/h5-8,12,18H,4H2,1-3H3,(H,15,20)(H,16,19);5-8,12H,4H2,1-3H3,(H,15,18);4-6,8,11,17-18H,3,7H2,1-2H3,(H,15,20);4-7,11,17H,3H2,1-2H3,(H,14,18);4-7,11,17H,3,14H2,1-2H3,(H,15,18);4-7,11,16H,1-3H3,(H,14,17);3-6,10,15H,1-2H3,(H,13,16)(H,17,18);3-5H,1-2H3;2-4,10H,1H3;2-4H,1H3,(H,10,11);1-3,9H,(H,10,11);2-3H2,1H3;1H3;/q;;;;;;;;;;;;-1;/t8-,12+;8-,12-;8-,11+;2*7-,11-;7-,11+;6-,10+;;;;;;;/m1010011......./s1.
What are the key properties of (4S,5S)-2-(4-amino-2-hydroxyphenyl)-N-ethyl-5-methyl-4,5-dihydro-1,3-oxazole-4-carboxamide;carbanide;ethanamine;N-[(2S,3R)-1-(ethylamino)-3-hydroxy-1-oxobutan-2-yl]-2-methoxy-4-nitrobenzamide;(2S)-N-ethyl-2-[(1R)-1-hydroxyethyl]-4-(2-hydroxy-4-nitrophenyl)-4-oxobutanamide;(4S,5S)-N-ethyl-2-(2-hydroxy-4-nitrophenyl)-5-methyl-4,5-dihydro-1,3-oxazole-4-carboxamide;(4S,5S)-N-ethyl-2-(2-methoxy-4-nitrophenyl)-5-methyl-4,5-dihydro-1,3-oxazole-4-carboxamide;(2S,3R)-3-hydroxy-2-[(2-methoxy-4-nitrobenzoyl)amino]butanoic acid;2-hydroxy-4-nitrobenzoic acid;methyl (2S,3R)-3-hydroxy-2-[(2-methoxy-4-nitrobenzoyl)amino]butanoate;methyl 2-hydroxy-4-nitrobenzoate;methyl 2-methyl-4-nitrobenzoate;2-methyl-4-nitrobenzoic acid;palladium?
(4S,5S)-2-(4-amino-2-hydroxyphenyl)-N-ethyl-5-methyl-4,5-dihydro-1,3-oxazole-4-carboxamide;carbanide;ethanamine;N-[(2S,3R)-1-(ethylamino)-3-hydroxy-1-oxobutan-2-yl]-2-methoxy-4-nitrobenzamide;(2S)-N-ethyl-2-[(1R)-1-hydroxyethyl]-4-(2-hydroxy-4-nitrophenyl)-4-oxobutanamide;(4S,5S)-N-ethyl-2-(2-hydroxy-4-nitrophenyl)-5-methyl-4,5-dihydro-1,3-oxazole-4-carboxamide;(4S,5S)-N-ethyl-2-(2-methoxy-4-nitrophenyl)-5-methyl-4,5-dihydro-1,3-oxazole-4-carboxamide;(2S,3R)-3-hydroxy-2-[(2-methoxy-4-nitrobenzoyl)amino]butanoic acid;2-hydroxy-4-nitrobenzoic acid;methyl (2S,3R)-3-hydroxy-2-[(2-methoxy-4-nitrobenzoyl)amino]butanoate;methyl 2-hydroxy-4-nitrobenzoate;methyl 2-methyl-4-nitrobenzoate;2-methyl-4-nitrobenzoic acid;palladium has a molecular weight of 3033.16 g/mol, XLogP of 10.33, 46 rotatable bonds, 22 hydrogen bond donors, and 59 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-2-(4-amino-2-hydroxyphenyl)-N-ethyl-5-methyl-4,5-dihydro-1,3-oxazole-4-carboxamide;carbanide;ethanamine;N-[(2S,3R)-1-(ethylamino)-3-hydroxy-1-oxobutan-2-yl]-2-methoxy-4-nitrobenzamide;(2S)-N-ethyl-2-[(1R)-1-hydroxyethyl]-4-(2-hydroxy-4-nitrophenyl)-4-oxobutanamide;(4S,5S)-N-ethyl-2-(2-hydroxy-4-nitrophenyl)-5-methyl-4,5-dihydro-1,3-oxazole-4-carboxamide;(4S,5S)-N-ethyl-2-(2-methoxy-4-nitrophenyl)-5-methyl-4,5-dihydro-1,3-oxazole-4-carboxamide;(2S,3R)-3-hydroxy-2-[(2-methoxy-4-nitrobenzoyl)amino]butanoic acid;2-hydroxy-4-nitrobenzoic acid;methyl (2S,3R)-3-hydroxy-2-[(2-methoxy-4-nitrobenzoyl)amino]butanoate;methyl 2-hydroxy-4-nitrobenzoate;methyl 2-methyl-4-nitrobenzoate;2-methyl-4-nitrobenzoic acid;palladium is sourced from PubChem (CID 157108575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).