N-[2-(5-amino-3-ethylpyrazol-1-yl)sulfonylethyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(5-ethyl-1H-pyrazol-3-yl)sulfonyl]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[[[5-(hydroxymethyl)-1H-pyrazol-3-yl]-methylidene-oxo-λ6-sulfanyl]amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-(1H-imidazol-2-ylsulfonylamino)propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[1H-imidazol-2-ylsulfonyl(methyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;5-phenyl-N-[2-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methylsulfonyl]ethyl]-1,2-oxazole-3-carboxamide;5-phenyl-N-[3-(pyridin-2-ylsulfonylamino)propyl]-1,2-oxazole-3-carboxamide;5-phenyl-N-[3-(pyrimidin-2-ylsulfonylamino)propyl]-1,2-oxazole-3-carboxamide

C139H151N37O32S9 — CID 158867443

IUPACN-[2-(5-amino-3-ethylpyrazol-1-yl)sulfonylethyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(5-ethyl-1H-pyrazol-3-yl)sulfonyl]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[[[5-(hydroxymethyl)-1H-pyrazol-3-yl]-methylidene-oxo-λ6-sulfanyl]amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-(1H-imidazol-2-ylsulfonylamino)propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[1H-imidazol-2-ylsulfonyl(methyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;5-phenyl-N-[2-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methylsulfonyl]ethyl]-1,2-oxazole-3-carboxamide;5-phenyl-N-[3-(pyridin-2-ylsulfonylamino)propyl]-1,2-oxazole-3-carboxamide;5-phenyl-N-[3-(pyrimidin-2-ylsulfonylamino)propyl]-1,2-oxazole-3-carboxamide
SMILESC=S(=O)(NCCCNC(=O)c1cc(-c2ccccc2)on1)c1cc(CO)[nH]n1.CC(C)c1nnc(CS(=O)(=O)CCNC(=O)c2cc(-c3ccccc3)on2)s1.CCc1cc(N)n(S(=O)(=O)CCNC(=O)c2cc(-c3ccccc3)on2)n1.CCc1cc(S(=O)(=O)CCCNC(=O)c2cc(-c3ccccc3)on2)n[nH]1.CN(CCCNC(=O)c1cc(-c2ccccc2)on1)S(=O)(=O)c1ncc[nH]1.O=C(NCCCNS(=O)(=O)c1ccccn1)c1cc(-c2ccccc2)on1.O=C(NCCCNS(=O)(=O)c1ncc[nH]1)c1cc(-c2ccccc2)on1.O=C(NCCCNS(=O)(=O)c1ncccn1)c1cc(-c2ccccc2)on1
InChIInChI=1S/C18H21N5O4S.C18H20N4O4S2.C18H20N4O4S.C18H18N4O4S.2C17H19N5O4S.C17H17N5O4S.C16H17N5O4S/c1-28(26,17-10-14(12-24)21-22-17)20-9-5-8-19-18(25)15-11-16(27-23-15)13-6-3-2-4-7-13;1-12(2)18-21-20-16(27-18)11-28(24,25)9-8-19-17(23)14-10-15(26-22-14)13-6-4-3-5-7-13;1-2-14-11-17(21-20-14)27(24,25)10-6-9-19-18(23)15-12-16(26-22-15)13-7-4-3-5-8-13;23-18(15-13-16(26-22-15)14-7-2-1-3-8-14)20-11-6-12-21-27(24,25)17-9-4-5-10-19-17;1-22(27(24,25)17-19-9-10-20-17)11-5-8-18-16(23)14-12-15(26-21-14)13-6-3-2-4-7-13;1-2-13-10-16(18)22(20-13)27(24,25)9-8-19-17(23)14-11-15(26-21-14)12-6-4-3-5-7-12;23-16(14-12-15(26-22-14)13-6-2-1-3-7-13)18-8-5-11-21-27(24,25)17-19-9-4-10-20-17;22-15(13-11-14(25-21-13)12-5-2-1-3-6-12)17-7-4-8-20-26(23,24)16-18-9-10-19-16/h2-4,6-7,10-11,24H,1,5,8-9,12H2,(H,19,25)(H,20,26)(H,21,22);3-7,10,12H,8-9,11H2,1-2H3,(H,19,23);3-5,7-8,11-12H,2,6,9-10H2,1H3,(H,19,23)(H,20,21);1-5,7-10,13,21H,6,11-12H2,(H,20,23);2-4,6-7,9-10,12H,5,8,11H2,1H3,(H,18,23)(H,19,20);3-7,10-11H,2,8-9,18H2,1H3,(H,19,23);1-4,6-7,9-10,12,21H,5,8,11H2,(H,18,23);1-3,5-6,9-11,20H,4,7-8H2,(H,17,22)(H,18,19)
InChIKeyJBKNAYWEWDMUNW-UHFFFAOYSA-N
MW3140.57 g/mol
LogP12.86
Rot. Bonds64

About N-[2-(5-amino-3-ethylpyrazol-1-yl)sulfonylethyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(5-ethyl-1H-pyrazol-3-yl)sulfonyl]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[[[5-(hydroxymethyl)-1H-pyrazol-3-yl]-methylidene-oxo-λ6-sulfanyl]amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-(1H-imidazol-2-ylsulfonylamino)propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[1H-imidazol-2-ylsulfonyl(methyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;5-phenyl-N-[2-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methylsulfonyl]ethyl]-1,2-oxazole-3-carboxamide;5-phenyl-N-[3-(pyridin-2-ylsulfonylamino)propyl]-1,2-oxazole-3-carboxamide;5-phenyl-N-[3-(pyrimidin-2-ylsulfonylamino)propyl]-1,2-oxazole-3-carboxamide

N-[2-(5-amino-3-ethylpyrazol-1-yl)sulfonylethyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(5-ethyl-1H-pyrazol-3-yl)sulfonyl]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[[[5-(hydroxymethyl)-1H-pyrazol-3-yl]-methylidene-oxo-λ6-sulfanyl]amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-(1H-imidazol-2-ylsulfonylamino)propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[1H-imidazol-2-ylsulfonyl(methyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;5-phenyl-N-[2-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methylsulfonyl]ethyl]-1,2-oxazole-3-carboxamide;5-phenyl-N-[3-(pyridin-2-ylsulfonylamino)propyl]-1,2-oxazole-3-carboxamide;5-phenyl-N-[3-(pyrimidin-2-ylsulfonylamino)propyl]-1,2-oxazole-3-carboxamide (PubChem CID 158867443) has the molecular formula C139H151N37O32S9 and a molecular weight of 3140.57 g/mol. Its IUPAC name is N-[2-(5-amino-3-ethylpyrazol-1-yl)sulfonylethyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(5-ethyl-1H-pyrazol-3-yl)sulfonyl]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[[[5-(hydroxymethyl)-1H-pyrazol-3-yl]-methylidene-oxo-λ6-sulfanyl]amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-(1H-imidazol-2-ylsulfonylamino)propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[1H-imidazol-2-ylsulfonyl(methyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;5-phenyl-N-[2-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methylsulfonyl]ethyl]-1,2-oxazole-3-carboxamide;5-phenyl-N-[3-(pyridin-2-ylsulfonylamino)propyl]-1,2-oxazole-3-carboxamide;5-phenyl-N-[3-(pyrimidin-2-ylsulfonylamino)propyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(5-amino-3-ethylpyrazol-1-yl)sulfonylethyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(5-ethyl-1H-pyrazol-3-yl)sulfonyl]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[[[5-(hydroxymethyl)-1H-pyrazol-3-yl]-methylidene-oxo-λ6-sulfanyl]amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-(1H-imidazol-2-ylsulfonylamino)propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[1H-imidazol-2-ylsulfonyl(methyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;5-phenyl-N-[2-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methylsulfonyl]ethyl]-1,2-oxazole-3-carboxamide;5-phenyl-N-[3-(pyridin-2-ylsulfonylamino)propyl]-1,2-oxazole-3-carboxamide;5-phenyl-N-[3-(pyrimidin-2-ylsulfonylamino)propyl]-1,2-oxazole-3-carboxamide
PubChem CID158867443
Molecular FormulaC139H151N37O32S9
Molecular Weight3140.57 g/mol
Exact Mass3137.88
IUPAC NameN-[2-(5-amino-3-ethylpyrazol-1-yl)sulfonylethyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(5-ethyl-1H-pyrazol-3-yl)sulfonyl]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[[[5-(hydroxymethyl)-1H-pyrazol-3-yl]-methylidene-oxo-λ6-sulfanyl]amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-(1H-imidazol-2-ylsulfonylamino)propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[1H-imidazol-2-ylsulfonyl(methyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;5-phenyl-N-[2-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methylsulfonyl]ethyl]-1,2-oxazole-3-carboxamide;5-phenyl-N-[3-(pyridin-2-ylsulfonylamino)propyl]-1,2-oxazole-3-carboxamide;5-phenyl-N-[3-(pyrimidin-2-ylsulfonylamino)propyl]-1,2-oxazole-3-carboxamide
SMILESC=S(=O)(NCCCNC(=O)c1cc(-c2ccccc2)on1)c1cc(CO)[nH]n1.CC(C)c1nnc(CS(=O)(=O)CCNC(=O)c2cc(-c3ccccc3)on2)s1.CCc1cc(N)n(S(=O)(=O)CCNC(=O)c2cc(-c3ccccc3)on2)n1.CCc1cc(S(=O)(=O)CCCNC(=O)c2cc(-c3ccccc3)on2)n[nH]1.CN(CCCNC(=O)c1cc(-c2ccccc2)on1)S(=O)(=O)c1ncc[nH]1.O=C(NCCCNS(=O)(=O)c1ccccn1)c1cc(-c2ccccc2)on1.O=C(NCCCNS(=O)(=O)c1ncc[nH]1)c1cc(-c2ccccc2)on1.O=C(NCCCNS(=O)(=O)c1ncccn1)c1cc(-c2ccccc2)on1
InChIInChI=1S/C18H21N5O4S.C18H20N4O4S2.C18H20N4O4S.C18H18N4O4S.2C17H19N5O4S.C17H17N5O4S.C16H17N5O4S/c1-28(26,17-10-14(12-24)21-22-17)20-9-5-8-19-18(25)15-11-16(27-23-15)13-6-3-2-4-7-13;1-12(2)18-21-20-16(27-18)11-28(24,25)9-8-19-17(23)14-10-15(26-22-14)13-6-4-3-5-7-13;1-2-14-11-17(21-20-14)27(24,25)10-6-9-19-18(23)15-12-16(26-22-15)13-7-4-3-5-8-13;23-18(15-13-16(26-22-15)14-7-2-1-3-8-14)20-11-6-12-21-27(24,25)17-9-4-5-10-19-17;1-22(27(24,25)17-19-9-10-20-17)11-5-8-18-16(23)14-12-15(26-21-14)13-6-3-2-4-7-13;1-2-13-10-16(18)22(20-13)27(24,25)9-8-19-17(23)14-11-15(26-21-14)12-6-4-3-5-7-12;23-16(14-12-15(26-22-14)13-6-2-1-3-7-13)18-8-5-11-21-27(24,25)17-19-9-4-10-20-17;22-15(13-11-14(25-21-13)12-5-2-1-3-6-12)17-7-4-8-20-26(23,24)16-18-9-10-19-16/h2-4,6-7,10-11,24H,1,5,8-9,12H2,(H,19,25)(H,20,26)(H,21,22);3-7,10,12H,8-9,11H2,1-2H3,(H,19,23);3-5,7-8,11-12H,2,6,9-10H2,1H3,(H,19,23)(H,20,21);1-5,7-10,13,21H,6,11-12H2,(H,20,23);2-4,6-7,9-10,12H,5,8,11H2,1H3,(H,18,23)(H,19,20);3-7,10-11H,2,8-9,18H2,1H3,(H,19,23);1-4,6-7,9-10,12,21H,5,8,11H2,(H,18,23);1-3,5-6,9-11,20H,4,7-8H2,(H,17,22)(H,18,19)
InChIKeyJBKNAYWEWDMUNW-UHFFFAOYSA-N
XLogP12.86
TPSA991.69 Ų
H-Bond Donors18
H-Bond Acceptors53
Rotatable Bonds64
Heavy Atoms217
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003140.57
LogP ≤ 512.86
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1053

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze N-[2-(5-amino-3-ethylpyrazol-1-yl)sulfonylethyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(5-ethyl-1H-pyrazol-3-yl)sulfonyl]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[[[5-(hydroxymethyl)-1H-pyrazol-3-yl]-methylidene-oxo-λ6-sulfanyl]amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-(1H-imidazol-2-ylsulfonylamino)propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[1H-imidazol-2-ylsulfonyl(methyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;5-phenyl-N-[2-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methylsulfonyl]ethyl]-1,2-oxazole-3-carboxamide;5-phenyl-N-[3-(pyridin-2-ylsulfonylamino)propyl]-1,2-oxazole-3-carboxamide;5-phenyl-N-[3-(pyrimidin-2-ylsulfonylamino)propyl]-1,2-oxazole-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-[3-[[1-(methoxymethyl)pyrrol-2-yl]sulfonyl-methylamino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[methyl-(1-methylimidazol-2-yl)sulfonylamino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;bis(5-phenyl-N-[2-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methylsulfonyl]ethyl]-1,2-oxazole-3-carboxamide)
CID 157156833
N-[2-(5-amino-3-ethylpyrazol-1-yl)sulfonylethyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(5-ethyl-1H-pyrazol-3-yl)sulfonyl]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[[[5-(hydroxymethyl)-1H-pyrazol-3-yl]-methylidene-oxo-lambda6-sulfanyl]amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-(1H-imidazol-2-ylsulfonylamino)propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[1H-imidazol-2-ylsulfonyl(methyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;5-phenyl-N-[3-(pyridin-2-ylsulfonylamino)propyl]-1,2-oxazole-3-carboxamide;5-phenyl-N-[3-(pyrimidin-2-ylsulfonylamino)propyl]-1,2-oxazole-3-carboxamide
CID 159697273
methane;N-[3-[[1-(methoxymethyl)pyrrol-2-yl]sulfonyl-methylamino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[methyl-(1-methylimidazol-2-yl)sulfonylamino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;bis(5-phenyl-N-[2-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methylsulfonyl]ethyl]-1,2-oxazole-3-carboxamide)
CID 160191824
N-[3-[[1-(methoxymethyl)pyrrol-2-yl]sulfonyl-methylamino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[methyl-(1-methylimidazol-2-yl)sulfonylamino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;5-phenyl-N-[2-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methylsulfonyl]ethyl]-1,2-oxazole-3-carboxamide
CID 162033236

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-amino-3-ethylpyrazol-1-yl)sulfonylethyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(5-ethyl-1H-pyrazol-3-yl)sulfonyl]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[[[5-(hydroxymethyl)-1H-pyrazol-3-yl]-methylidene-oxo-λ6-sulfanyl]amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-(1H-imidazol-2-ylsulfonylamino)propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[1H-imidazol-2-ylsulfonyl(methyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;5-phenyl-N-[2-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methylsulfonyl]ethyl]-1,2-oxazole-3-carboxamide;5-phenyl-N-[3-(pyridin-2-ylsulfonylamino)propyl]-1,2-oxazole-3-carboxamide;5-phenyl-N-[3-(pyrimidin-2-ylsulfonylamino)propyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[2-(5-amino-3-ethylpyrazol-1-yl)sulfonylethyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(5-ethyl-1H-pyrazol-3-yl)sulfonyl]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[[[5-(hydroxymethyl)-1H-pyrazol-3-yl]-methylidene-oxo-λ6-sulfanyl]amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-(1H-imidazol-2-ylsulfonylamino)propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[1H-imidazol-2-ylsulfonyl(methyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;5-phenyl-N-[2-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methylsulfonyl]ethyl]-1,2-oxazole-3-carboxamide;5-phenyl-N-[3-(pyridin-2-ylsulfonylamino)propyl]-1,2-oxazole-3-carboxamide;5-phenyl-N-[3-(pyrimidin-2-ylsulfonylamino)propyl]-1,2-oxazole-3-carboxamide (CID 158867443) is N-[2-(5-amino-3-ethylpyrazol-1-yl)sulfonylethyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(5-ethyl-1H-pyrazol-3-yl)sulfonyl]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[[[5-(hydroxymethyl)-1H-pyrazol-3-yl]-methylidene-oxo-λ6-sulfanyl]amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-(1H-imidazol-2-ylsulfonylamino)propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[1H-imidazol-2-ylsulfonyl(methyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;5-phenyl-N-[2-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methylsulfonyl]ethyl]-1,2-oxazole-3-carboxamide;5-phenyl-N-[3-(pyridin-2-ylsulfonylamino)propyl]-1,2-oxazole-3-carboxamide;5-phenyl-N-[3-(pyrimidin-2-ylsulfonylamino)propyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[2-(5-amino-3-ethylpyrazol-1-yl)sulfonylethyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(5-ethyl-1H-pyrazol-3-yl)sulfonyl]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[[[5-(hydroxymethyl)-1H-pyrazol-3-yl]-methylidene-oxo-λ6-sulfanyl]amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-(1H-imidazol-2-ylsulfonylamino)propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[1H-imidazol-2-ylsulfonyl(methyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;5-phenyl-N-[2-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methylsulfonyl]ethyl]-1,2-oxazole-3-carboxamide;5-phenyl-N-[3-(pyridin-2-ylsulfonylamino)propyl]-1,2-oxazole-3-carboxamide;5-phenyl-N-[3-(pyrimidin-2-ylsulfonylamino)propyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[2-(5-amino-3-ethylpyrazol-1-yl)sulfonylethyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(5-ethyl-1H-pyrazol-3-yl)sulfonyl]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[[[5-(hydroxymethyl)-1H-pyrazol-3-yl]-methylidene-oxo-λ6-sulfanyl]amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-(1H-imidazol-2-ylsulfonylamino)propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[1H-imidazol-2-ylsulfonyl(methyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;5-phenyl-N-[2-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methylsulfonyl]ethyl]-1,2-oxazole-3-carboxamide;5-phenyl-N-[3-(pyridin-2-ylsulfonylamino)propyl]-1,2-oxazole-3-carboxamide;5-phenyl-N-[3-(pyrimidin-2-ylsulfonylamino)propyl]-1,2-oxazole-3-carboxamide is C=S(=O)(NCCCNC(=O)c1cc(-c2ccccc2)on1)c1cc(CO)[nH]n1.CC(C)c1nnc(CS(=O)(=O)CCNC(=O)c2cc(-c3ccccc3)on2)s1.CCc1cc(N)n(S(=O)(=O)CCNC(=O)c2cc(-c3ccccc3)on2)n1.CCc1cc(S(=O)(=O)CCCNC(=O)c2cc(-c3ccccc3)on2)n[nH]1.CN(CCCNC(=O)c1cc(-c2ccccc2)on1)S(=O)(=O)c1ncc[nH]1.O=C(NCCCNS(=O)(=O)c1ccccn1)c1cc(-c2ccccc2)on1.O=C(NCCCNS(=O)(=O)c1ncc[nH]1)c1cc(-c2ccccc2)on1.O=C(NCCCNS(=O)(=O)c1ncccn1)c1cc(-c2ccccc2)on1.
What is the InChIKey of N-[2-(5-amino-3-ethylpyrazol-1-yl)sulfonylethyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(5-ethyl-1H-pyrazol-3-yl)sulfonyl]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[[[5-(hydroxymethyl)-1H-pyrazol-3-yl]-methylidene-oxo-λ6-sulfanyl]amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-(1H-imidazol-2-ylsulfonylamino)propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[1H-imidazol-2-ylsulfonyl(methyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;5-phenyl-N-[2-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methylsulfonyl]ethyl]-1,2-oxazole-3-carboxamide;5-phenyl-N-[3-(pyridin-2-ylsulfonylamino)propyl]-1,2-oxazole-3-carboxamide;5-phenyl-N-[3-(pyrimidin-2-ylsulfonylamino)propyl]-1,2-oxazole-3-carboxamide?
The InChIKey is JBKNAYWEWDMUNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O4S.C18H20N4O4S2.C18H20N4O4S.C18H18N4O4S.2C17H19N5O4S.C17H17N5O4S.C16H17N5O4S/c1-28(26,17-10-14(12-24)21-22-17)20-9-5-8-19-18(25)15-11-16(27-23-15)13-6-3-2-4-7-13;1-12(2)18-21-20-16(27-18)11-28(24,25)9-8-19-17(23)14-10-15(26-22-14)13-6-4-3-5-7-13;1-2-14-11-17(21-20-14)27(24,25)10-6-9-19-18(23)15-12-16(26-22-15)13-7-4-3-5-8-13;23-18(15-13-16(26-22-15)14-7-2-1-3-8-14)20-11-6-12-21-27(24,25)17-9-4-5-10-19-17;1-22(27(24,25)17-19-9-10-20-17)11-5-8-18-16(23)14-12-15(26-21-14)13-6-3-2-4-7-13;1-2-13-10-16(18)22(20-13)27(24,25)9-8-19-17(23)14-11-15(26-21-14)12-6-4-3-5-7-12;23-16(14-12-15(26-22-14)13-6-2-1-3-7-13)18-8-5-11-21-27(24,25)17-19-9-4-10-20-17;22-15(13-11-14(25-21-13)12-5-2-1-3-6-12)17-7-4-8-20-26(23,24)16-18-9-10-19-16/h2-4,6-7,10-11,24H,1,5,8-9,12H2,(H,19,25)(H,20,26)(H,21,22);3-7,10,12H,8-9,11H2,1-2H3,(H,19,23);3-5,7-8,11-12H,2,6,9-10H2,1H3,(H,19,23)(H,20,21);1-5,7-10,13,21H,6,11-12H2,(H,20,23);2-4,6-7,9-10,12H,5,8,11H2,1H3,(H,18,23)(H,19,20);3-7,10-11H,2,8-9,18H2,1H3,(H,19,23);1-4,6-7,9-10,12,21H,5,8,11H2,(H,18,23);1-3,5-6,9-11,20H,4,7-8H2,(H,17,22)(H,18,19).
What are the key properties of N-[2-(5-amino-3-ethylpyrazol-1-yl)sulfonylethyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(5-ethyl-1H-pyrazol-3-yl)sulfonyl]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[[[5-(hydroxymethyl)-1H-pyrazol-3-yl]-methylidene-oxo-λ6-sulfanyl]amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-(1H-imidazol-2-ylsulfonylamino)propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[1H-imidazol-2-ylsulfonyl(methyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;5-phenyl-N-[2-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methylsulfonyl]ethyl]-1,2-oxazole-3-carboxamide;5-phenyl-N-[3-(pyridin-2-ylsulfonylamino)propyl]-1,2-oxazole-3-carboxamide;5-phenyl-N-[3-(pyrimidin-2-ylsulfonylamino)propyl]-1,2-oxazole-3-carboxamide?
N-[2-(5-amino-3-ethylpyrazol-1-yl)sulfonylethyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(5-ethyl-1H-pyrazol-3-yl)sulfonyl]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[[[5-(hydroxymethyl)-1H-pyrazol-3-yl]-methylidene-oxo-λ6-sulfanyl]amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-(1H-imidazol-2-ylsulfonylamino)propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[1H-imidazol-2-ylsulfonyl(methyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;5-phenyl-N-[2-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methylsulfonyl]ethyl]-1,2-oxazole-3-carboxamide;5-phenyl-N-[3-(pyridin-2-ylsulfonylamino)propyl]-1,2-oxazole-3-carboxamide;5-phenyl-N-[3-(pyrimidin-2-ylsulfonylamino)propyl]-1,2-oxazole-3-carboxamide has a molecular weight of 3140.57 g/mol, XLogP of 12.86, 64 rotatable bonds, 18 hydrogen bond donors, and 53 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-amino-3-ethylpyrazol-1-yl)sulfonylethyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(5-ethyl-1H-pyrazol-3-yl)sulfonyl]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[[[5-(hydroxymethyl)-1H-pyrazol-3-yl]-methylidene-oxo-λ6-sulfanyl]amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-(1H-imidazol-2-ylsulfonylamino)propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[1H-imidazol-2-ylsulfonyl(methyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;5-phenyl-N-[2-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methylsulfonyl]ethyl]-1,2-oxazole-3-carboxamide;5-phenyl-N-[3-(pyridin-2-ylsulfonylamino)propyl]-1,2-oxazole-3-carboxamide;5-phenyl-N-[3-(pyrimidin-2-ylsulfonylamino)propyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 158867443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).