N-cyclopropyl-4-phenylfuran-2-carboxamide;N-(3-imidazol-1-ylpropyl)-4-phenylfuran-2-carboxamide;N-[3-[5-[(1R)-1-methoxyethyl]-1,3,4-oxadiazol-2-yl]cyclobutyl]-3-phenyl-1,2-oxazole-5-carboxamide;N-[3-[5-(1-methylsulfonylethyl)-1,3,4-oxadiazol-2-yl]cyclobutyl]-3-phenyl-1,2-oxazole-5-carboxamide;N-(2-morpholin-4-ylethyl)-4-phenylfuran-2-carboxamide;N-(oxolan-2-ylmethyl)-4-phenylfuran-2-carboxamide;bis(3-phenyl-N-[3-[5-[1-(2,2,2-trifluoroethoxy)ethyl]-1,3,4-oxadiazol-2-yl]cyclobutyl]-1,2-oxazole-5-carboxamide)

C142H145F6N23O27S — CID 159581288

IUPACN-cyclopropyl-4-phenylfuran-2-carboxamide;N-(3-imidazol-1-ylpropyl)-4-phenylfuran-2-carboxamide;N-[3-[5-[(1R)-1-methoxyethyl]-1,3,4-oxadiazol-2-yl]cyclobutyl]-3-phenyl-1,2-oxazole-5-carboxamide;N-[3-[5-(1-methylsulfonylethyl)-1,3,4-oxadiazol-2-yl]cyclobutyl]-3-phenyl-1,2-oxazole-5-carboxamide;N-(2-morpholin-4-ylethyl)-4-phenylfuran-2-carboxamide;N-(oxolan-2-ylmethyl)-4-phenylfuran-2-carboxamide;bis(3-phenyl-N-[3-[5-[1-(2,2,2-trifluoroethoxy)ethyl]-1,3,4-oxadiazol-2-yl]cyclobutyl]-1,2-oxazole-5-carboxamide)
SMILESCC(OCC(F)(F)F)c1nnc(C2CC(NC(=O)c3cc(-c4ccccc4)no3)C2)o1.CC(OCC(F)(F)F)c1nnc(C2CC(NC(=O)c3cc(-c4ccccc4)no3)C2)o1.CC(c1nnc(C2CC(NC(=O)c3cc(-c4ccccc4)no3)C2)o1)S(C)(=O)=O.CO[C@H](C)c1nnc(C2CC(NC(=O)c3cc(-c4ccccc4)no3)C2)o1.O=C(NC1CC1)c1cc(-c2ccccc2)co1.O=C(NCC1CCCO1)c1cc(-c2ccccc2)co1.O=C(NCCCn1ccnc1)c1cc(-c2ccccc2)co1.O=C(NCCN1CCOCC1)c1cc(-c2ccccc2)co1
InChIInChI=1S/2C20H19F3N4O4.C19H20N4O5S.C19H20N4O4.C17H17N3O2.C17H20N2O3.C16H17NO3.C14H13NO2/c2*1-11(29-10-20(21,22)23)18-25-26-19(30-18)13-7-14(8-13)24-17(28)16-9-15(27-31-16)12-5-3-2-4-6-12;1-11(29(2,25)26)18-21-22-19(27-18)13-8-14(9-13)20-17(24)16-10-15(23-28-16)12-6-4-3-5-7-12;1-11(25-2)18-21-22-19(26-18)13-8-14(9-13)20-17(24)16-10-15(23-27-16)12-6-4-3-5-7-12;21-17(19-7-4-9-20-10-8-18-13-20)16-11-15(12-22-16)14-5-2-1-3-6-14;20-17(18-6-7-19-8-10-21-11-9-19)16-12-15(13-22-16)14-4-2-1-3-5-14;18-16(17-10-14-7-4-8-19-14)15-9-13(11-20-15)12-5-2-1-3-6-12;16-14(15-12-6-7-12)13-8-11(9-17-13)10-4-2-1-3-5-10/h2*2-6,9,11,13-14H,7-8,10H2,1H3,(H,24,28);3-7,10-11,13-14H,8-9H2,1-2H3,(H,20,24);3-7,10-11,13-14H,8-9H2,1-2H3,(H,20,24);1-3,5-6,8,10-13H,4,7,9H2,(H,19,21);1-5,12-13H,6-11H2,(H,18,20);1-3,5-6,9,11,14H,4,7-8,10H2,(H,17,18);1-5,8-9,12H,6-7H2,(H,15,16)/t;;;11-,13?,14?;;;;/m...1..../s1
InChIKeyMJAZNUAXMYAZFA-OPBSHCQBSA-N
MW2751.91 g/mol
LogP24.36
Rot. Bonds44

About N-cyclopropyl-4-phenylfuran-2-carboxamide;N-(3-imidazol-1-ylpropyl)-4-phenylfuran-2-carboxamide;N-[3-[5-[(1R)-1-methoxyethyl]-1,3,4-oxadiazol-2-yl]cyclobutyl]-3-phenyl-1,2-oxazole-5-carboxamide;N-[3-[5-(1-methylsulfonylethyl)-1,3,4-oxadiazol-2-yl]cyclobutyl]-3-phenyl-1,2-oxazole-5-carboxamide;N-(2-morpholin-4-ylethyl)-4-phenylfuran-2-carboxamide;N-(oxolan-2-ylmethyl)-4-phenylfuran-2-carboxamide;bis(3-phenyl-N-[3-[5-[1-(2,2,2-trifluoroethoxy)ethyl]-1,3,4-oxadiazol-2-yl]cyclobutyl]-1,2-oxazole-5-carboxamide)

N-cyclopropyl-4-phenylfuran-2-carboxamide;N-(3-imidazol-1-ylpropyl)-4-phenylfuran-2-carboxamide;N-[3-[5-[(1R)-1-methoxyethyl]-1,3,4-oxadiazol-2-yl]cyclobutyl]-3-phenyl-1,2-oxazole-5-carboxamide;N-[3-[5-(1-methylsulfonylethyl)-1,3,4-oxadiazol-2-yl]cyclobutyl]-3-phenyl-1,2-oxazole-5-carboxamide;N-(2-morpholin-4-ylethyl)-4-phenylfuran-2-carboxamide;N-(oxolan-2-ylmethyl)-4-phenylfuran-2-carboxamide;bis(3-phenyl-N-[3-[5-[1-(2,2,2-trifluoroethoxy)ethyl]-1,3,4-oxadiazol-2-yl]cyclobutyl]-1,2-oxazole-5-carboxamide) (PubChem CID 159581288) has the molecular formula C142H145F6N23O27S and a molecular weight of 2751.91 g/mol. Its IUPAC name is N-cyclopropyl-4-phenylfuran-2-carboxamide;N-(3-imidazol-1-ylpropyl)-4-phenylfuran-2-carboxamide;N-[3-[5-[(1R)-1-methoxyethyl]-1,3,4-oxadiazol-2-yl]cyclobutyl]-3-phenyl-1,2-oxazole-5-carboxamide;N-[3-[5-(1-methylsulfonylethyl)-1,3,4-oxadiazol-2-yl]cyclobutyl]-3-phenyl-1,2-oxazole-5-carboxamide;N-(2-morpholin-4-ylethyl)-4-phenylfuran-2-carboxamide;N-(oxolan-2-ylmethyl)-4-phenylfuran-2-carboxamide;bis(3-phenyl-N-[3-[5-[1-(2,2,2-trifluoroethoxy)ethyl]-1,3,4-oxadiazol-2-yl]cyclobutyl]-1,2-oxazole-5-carboxamide).

Molecular Properties

Compound NameN-cyclopropyl-4-phenylfuran-2-carboxamide;N-(3-imidazol-1-ylpropyl)-4-phenylfuran-2-carboxamide;N-[3-[5-[(1R)-1-methoxyethyl]-1,3,4-oxadiazol-2-yl]cyclobutyl]-3-phenyl-1,2-oxazole-5-carboxamide;N-[3-[5-(1-methylsulfonylethyl)-1,3,4-oxadiazol-2-yl]cyclobutyl]-3-phenyl-1,2-oxazole-5-carboxamide;N-(2-morpholin-4-ylethyl)-4-phenylfuran-2-carboxamide;N-(oxolan-2-ylmethyl)-4-phenylfuran-2-carboxamide;bis(3-phenyl-N-[3-[5-[1-(2,2,2-trifluoroethoxy)ethyl]-1,3,4-oxadiazol-2-yl]cyclobutyl]-1,2-oxazole-5-carboxamide)
PubChem CID159581288
Molecular FormulaC142H145F6N23O27S
Molecular Weight2751.91 g/mol
Exact Mass2750.03
IUPAC NameN-cyclopropyl-4-phenylfuran-2-carboxamide;N-(3-imidazol-1-ylpropyl)-4-phenylfuran-2-carboxamide;N-[3-[5-[(1R)-1-methoxyethyl]-1,3,4-oxadiazol-2-yl]cyclobutyl]-3-phenyl-1,2-oxazole-5-carboxamide;N-[3-[5-(1-methylsulfonylethyl)-1,3,4-oxadiazol-2-yl]cyclobutyl]-3-phenyl-1,2-oxazole-5-carboxamide;N-(2-morpholin-4-ylethyl)-4-phenylfuran-2-carboxamide;N-(oxolan-2-ylmethyl)-4-phenylfuran-2-carboxamide;bis(3-phenyl-N-[3-[5-[1-(2,2,2-trifluoroethoxy)ethyl]-1,3,4-oxadiazol-2-yl]cyclobutyl]-1,2-oxazole-5-carboxamide)
SMILESCC(OCC(F)(F)F)c1nnc(C2CC(NC(=O)c3cc(-c4ccccc4)no3)C2)o1.CC(OCC(F)(F)F)c1nnc(C2CC(NC(=O)c3cc(-c4ccccc4)no3)C2)o1.CC(c1nnc(C2CC(NC(=O)c3cc(-c4ccccc4)no3)C2)o1)S(C)(=O)=O.CO[C@H](C)c1nnc(C2CC(NC(=O)c3cc(-c4ccccc4)no3)C2)o1.O=C(NC1CC1)c1cc(-c2ccccc2)co1.O=C(NCC1CCCO1)c1cc(-c2ccccc2)co1.O=C(NCCCn1ccnc1)c1cc(-c2ccccc2)co1.O=C(NCCN1CCOCC1)c1cc(-c2ccccc2)co1
InChIInChI=1S/2C20H19F3N4O4.C19H20N4O5S.C19H20N4O4.C17H17N3O2.C17H20N2O3.C16H17NO3.C14H13NO2/c2*1-11(29-10-20(21,22)23)18-25-26-19(30-18)13-7-14(8-13)24-17(28)16-9-15(27-31-16)12-5-3-2-4-6-12;1-11(29(2,25)26)18-21-22-19(27-18)13-8-14(9-13)20-17(24)16-10-15(23-28-16)12-6-4-3-5-7-12;1-11(25-2)18-21-22-19(26-18)13-8-14(9-13)20-17(24)16-10-15(23-27-16)12-6-4-3-5-7-12;21-17(19-7-4-9-20-10-8-18-13-20)16-11-15(12-22-16)14-5-2-1-3-6-14;20-17(18-6-7-19-8-10-21-11-9-19)16-12-15(13-22-16)14-4-2-1-3-5-14;18-16(17-10-14-7-4-8-19-14)15-9-13(11-20-15)12-5-2-1-3-6-12;16-14(15-12-6-7-12)13-8-11(9-17-13)10-4-2-1-3-5-10/h2*2-6,9,11,13-14H,7-8,10H2,1H3,(H,24,28);3-7,10-11,13-14H,8-9H2,1-2H3,(H,20,24);3-7,10-11,13-14H,8-9H2,1-2H3,(H,20,24);1-3,5-6,8,10-13H,4,7,9H2,(H,19,21);1-5,12-13H,6-11H2,(H,18,20);1-3,5-6,9,11,14H,4,7-8,10H2,(H,17,18);1-5,8-9,12H,6-7H2,(H,15,16)/t;;;11-,13?,14?;;;;/m...1..../s1
InChIKeyMJAZNUAXMYAZFA-OPBSHCQBSA-N
XLogP24.36
TPSA646.51 Ų
H-Bond Donors8
H-Bond Acceptors42
Rotatable Bonds44
Heavy Atoms199
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002751.91
LogP ≤ 524.36
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1042

Computed Properties (RDKit)

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

Analyze N-cyclopropyl-4-phenylfuran-2-carboxamide;N-(3-imidazol-1-ylpropyl)-4-phenylfuran-2-carboxamide;N-[3-[5-[(1R)-1-methoxyethyl]-1,3,4-oxadiazol-2-yl]cyclobutyl]-3-phenyl-1,2-oxazole-5-carboxamide;N-[3-[5-(1-methylsulfonylethyl)-1,3,4-oxadiazol-2-yl]cyclobutyl]-3-phenyl-1,2-oxazole-5-carboxamide;N-(2-morpholin-4-ylethyl)-4-phenylfuran-2-carboxamide;N-(oxolan-2-ylmethyl)-4-phenylfuran-2-carboxamide;bis(3-phenyl-N-[3-[5-[1-(2,2,2-trifluoroethoxy)ethyl]-1,3,4-oxadiazol-2-yl]cyclobutyl]-1,2-oxazole-5-carboxamide) with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-phenylfuran-2-carboxamide;N-(3-imidazol-1-ylpropyl)-4-phenylfuran-2-carboxamide;N-[3-[5-[(1R)-1-methoxyethyl]-1,3,4-oxadiazol-2-yl]cyclobutyl]-3-phenyl-1,2-oxazole-5-carboxamide;N-[3-[5-(1-methylsulfonylethyl)-1,3,4-oxadiazol-2-yl]cyclobutyl]-3-phenyl-1,2-oxazole-5-carboxamide;N-(2-morpholin-4-ylethyl)-4-phenylfuran-2-carboxamide;N-(oxolan-2-ylmethyl)-4-phenylfuran-2-carboxamide;bis(3-phenyl-N-[3-[5-[1-(2,2,2-trifluoroethoxy)ethyl]-1,3,4-oxadiazol-2-yl]cyclobutyl]-1,2-oxazole-5-carboxamide)?
The IUPAC name of N-cyclopropyl-4-phenylfuran-2-carboxamide;N-(3-imidazol-1-ylpropyl)-4-phenylfuran-2-carboxamide;N-[3-[5-[(1R)-1-methoxyethyl]-1,3,4-oxadiazol-2-yl]cyclobutyl]-3-phenyl-1,2-oxazole-5-carboxamide;N-[3-[5-(1-methylsulfonylethyl)-1,3,4-oxadiazol-2-yl]cyclobutyl]-3-phenyl-1,2-oxazole-5-carboxamide;N-(2-morpholin-4-ylethyl)-4-phenylfuran-2-carboxamide;N-(oxolan-2-ylmethyl)-4-phenylfuran-2-carboxamide;bis(3-phenyl-N-[3-[5-[1-(2,2,2-trifluoroethoxy)ethyl]-1,3,4-oxadiazol-2-yl]cyclobutyl]-1,2-oxazole-5-carboxamide) (CID 159581288) is N-cyclopropyl-4-phenylfuran-2-carboxamide;N-(3-imidazol-1-ylpropyl)-4-phenylfuran-2-carboxamide;N-[3-[5-[(1R)-1-methoxyethyl]-1,3,4-oxadiazol-2-yl]cyclobutyl]-3-phenyl-1,2-oxazole-5-carboxamide;N-[3-[5-(1-methylsulfonylethyl)-1,3,4-oxadiazol-2-yl]cyclobutyl]-3-phenyl-1,2-oxazole-5-carboxamide;N-(2-morpholin-4-ylethyl)-4-phenylfuran-2-carboxamide;N-(oxolan-2-ylmethyl)-4-phenylfuran-2-carboxamide;bis(3-phenyl-N-[3-[5-[1-(2,2,2-trifluoroethoxy)ethyl]-1,3,4-oxadiazol-2-yl]cyclobutyl]-1,2-oxazole-5-carboxamide).
What is the SMILES notation for N-cyclopropyl-4-phenylfuran-2-carboxamide;N-(3-imidazol-1-ylpropyl)-4-phenylfuran-2-carboxamide;N-[3-[5-[(1R)-1-methoxyethyl]-1,3,4-oxadiazol-2-yl]cyclobutyl]-3-phenyl-1,2-oxazole-5-carboxamide;N-[3-[5-(1-methylsulfonylethyl)-1,3,4-oxadiazol-2-yl]cyclobutyl]-3-phenyl-1,2-oxazole-5-carboxamide;N-(2-morpholin-4-ylethyl)-4-phenylfuran-2-carboxamide;N-(oxolan-2-ylmethyl)-4-phenylfuran-2-carboxamide;bis(3-phenyl-N-[3-[5-[1-(2,2,2-trifluoroethoxy)ethyl]-1,3,4-oxadiazol-2-yl]cyclobutyl]-1,2-oxazole-5-carboxamide)?
The canonical SMILES for N-cyclopropyl-4-phenylfuran-2-carboxamide;N-(3-imidazol-1-ylpropyl)-4-phenylfuran-2-carboxamide;N-[3-[5-[(1R)-1-methoxyethyl]-1,3,4-oxadiazol-2-yl]cyclobutyl]-3-phenyl-1,2-oxazole-5-carboxamide;N-[3-[5-(1-methylsulfonylethyl)-1,3,4-oxadiazol-2-yl]cyclobutyl]-3-phenyl-1,2-oxazole-5-carboxamide;N-(2-morpholin-4-ylethyl)-4-phenylfuran-2-carboxamide;N-(oxolan-2-ylmethyl)-4-phenylfuran-2-carboxamide;bis(3-phenyl-N-[3-[5-[1-(2,2,2-trifluoroethoxy)ethyl]-1,3,4-oxadiazol-2-yl]cyclobutyl]-1,2-oxazole-5-carboxamide) is CC(OCC(F)(F)F)c1nnc(C2CC(NC(=O)c3cc(-c4ccccc4)no3)C2)o1.CC(OCC(F)(F)F)c1nnc(C2CC(NC(=O)c3cc(-c4ccccc4)no3)C2)o1.CC(c1nnc(C2CC(NC(=O)c3cc(-c4ccccc4)no3)C2)o1)S(C)(=O)=O.CO[C@H](C)c1nnc(C2CC(NC(=O)c3cc(-c4ccccc4)no3)C2)o1.O=C(NC1CC1)c1cc(-c2ccccc2)co1.O=C(NCC1CCCO1)c1cc(-c2ccccc2)co1.O=C(NCCCn1ccnc1)c1cc(-c2ccccc2)co1.O=C(NCCN1CCOCC1)c1cc(-c2ccccc2)co1.
What is the InChIKey of N-cyclopropyl-4-phenylfuran-2-carboxamide;N-(3-imidazol-1-ylpropyl)-4-phenylfuran-2-carboxamide;N-[3-[5-[(1R)-1-methoxyethyl]-1,3,4-oxadiazol-2-yl]cyclobutyl]-3-phenyl-1,2-oxazole-5-carboxamide;N-[3-[5-(1-methylsulfonylethyl)-1,3,4-oxadiazol-2-yl]cyclobutyl]-3-phenyl-1,2-oxazole-5-carboxamide;N-(2-morpholin-4-ylethyl)-4-phenylfuran-2-carboxamide;N-(oxolan-2-ylmethyl)-4-phenylfuran-2-carboxamide;bis(3-phenyl-N-[3-[5-[1-(2,2,2-trifluoroethoxy)ethyl]-1,3,4-oxadiazol-2-yl]cyclobutyl]-1,2-oxazole-5-carboxamide)?
The InChIKey is MJAZNUAXMYAZFA-OPBSHCQBSA-N. The full InChI is InChI=1S/2C20H19F3N4O4.C19H20N4O5S.C19H20N4O4.C17H17N3O2.C17H20N2O3.C16H17NO3.C14H13NO2/c2*1-11(29-10-20(21,22)23)18-25-26-19(30-18)13-7-14(8-13)24-17(28)16-9-15(27-31-16)12-5-3-2-4-6-12;1-11(29(2,25)26)18-21-22-19(27-18)13-8-14(9-13)20-17(24)16-10-15(23-28-16)12-6-4-3-5-7-12;1-11(25-2)18-21-22-19(26-18)13-8-14(9-13)20-17(24)16-10-15(23-27-16)12-6-4-3-5-7-12;21-17(19-7-4-9-20-10-8-18-13-20)16-11-15(12-22-16)14-5-2-1-3-6-14;20-17(18-6-7-19-8-10-21-11-9-19)16-12-15(13-22-16)14-4-2-1-3-5-14;18-16(17-10-14-7-4-8-19-14)15-9-13(11-20-15)12-5-2-1-3-6-12;16-14(15-12-6-7-12)13-8-11(9-17-13)10-4-2-1-3-5-10/h2*2-6,9,11,13-14H,7-8,10H2,1H3,(H,24,28);3-7,10-11,13-14H,8-9H2,1-2H3,(H,20,24);3-7,10-11,13-14H,8-9H2,1-2H3,(H,20,24);1-3,5-6,8,10-13H,4,7,9H2,(H,19,21);1-5,12-13H,6-11H2,(H,18,20);1-3,5-6,9,11,14H,4,7-8,10H2,(H,17,18);1-5,8-9,12H,6-7H2,(H,15,16)/t;;;11-,13?,14?;;;;/m...1..../s1.
What are the key properties of N-cyclopropyl-4-phenylfuran-2-carboxamide;N-(3-imidazol-1-ylpropyl)-4-phenylfuran-2-carboxamide;N-[3-[5-[(1R)-1-methoxyethyl]-1,3,4-oxadiazol-2-yl]cyclobutyl]-3-phenyl-1,2-oxazole-5-carboxamide;N-[3-[5-(1-methylsulfonylethyl)-1,3,4-oxadiazol-2-yl]cyclobutyl]-3-phenyl-1,2-oxazole-5-carboxamide;N-(2-morpholin-4-ylethyl)-4-phenylfuran-2-carboxamide;N-(oxolan-2-ylmethyl)-4-phenylfuran-2-carboxamide;bis(3-phenyl-N-[3-[5-[1-(2,2,2-trifluoroethoxy)ethyl]-1,3,4-oxadiazol-2-yl]cyclobutyl]-1,2-oxazole-5-carboxamide)?
N-cyclopropyl-4-phenylfuran-2-carboxamide;N-(3-imidazol-1-ylpropyl)-4-phenylfuran-2-carboxamide;N-[3-[5-[(1R)-1-methoxyethyl]-1,3,4-oxadiazol-2-yl]cyclobutyl]-3-phenyl-1,2-oxazole-5-carboxamide;N-[3-[5-(1-methylsulfonylethyl)-1,3,4-oxadiazol-2-yl]cyclobutyl]-3-phenyl-1,2-oxazole-5-carboxamide;N-(2-morpholin-4-ylethyl)-4-phenylfuran-2-carboxamide;N-(oxolan-2-ylmethyl)-4-phenylfuran-2-carboxamide;bis(3-phenyl-N-[3-[5-[1-(2,2,2-trifluoroethoxy)ethyl]-1,3,4-oxadiazol-2-yl]cyclobutyl]-1,2-oxazole-5-carboxamide) has a molecular weight of 2751.91 g/mol, XLogP of 24.36, 44 rotatable bonds, 8 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-phenylfuran-2-carboxamide;N-(3-imidazol-1-ylpropyl)-4-phenylfuran-2-carboxamide;N-[3-[5-[(1R)-1-methoxyethyl]-1,3,4-oxadiazol-2-yl]cyclobutyl]-3-phenyl-1,2-oxazole-5-carboxamide;N-[3-[5-(1-methylsulfonylethyl)-1,3,4-oxadiazol-2-yl]cyclobutyl]-3-phenyl-1,2-oxazole-5-carboxamide;N-(2-morpholin-4-ylethyl)-4-phenylfuran-2-carboxamide;N-(oxolan-2-ylmethyl)-4-phenylfuran-2-carboxamide;bis(3-phenyl-N-[3-[5-[1-(2,2,2-trifluoroethoxy)ethyl]-1,3,4-oxadiazol-2-yl]cyclobutyl]-1,2-oxazole-5-carboxamide) is sourced from PubChem (CID 159581288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).