bis(N-[2-chloro-5-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2,5-dimethylbenzamide);N-[3-chloro-5-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2,5-dimethylbenzamide;2-(2,2-difluoroethoxy)-N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-5-methylbenzamide;N-[3-fluoro-5-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2,5-dimethylbenzamide;N-[4-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-2,5-dimethylbenzamide

C126H97Cl3F3N19O19 — CID 164952582

IUPACbis(N-[2-chloro-5-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2,5-dimethylbenzamide);N-[3-chloro-5-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2,5-dimethylbenzamide;2-(2,2-difluoroethoxy)-N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-5-methylbenzamide;N-[3-fluoro-5-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2,5-dimethylbenzamide;N-[4-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-2,5-dimethylbenzamide
SMILESCc1ccc(C)c(C(=O)Nc2cc(-c3nnc(-c4ccco4)o3)ccc2Cl)c1.Cc1ccc(C)c(C(=O)Nc2cc(-c3nnc(-c4ccco4)o3)ccc2Cl)c1.Cc1ccc(C)c(C(=O)Nc2cc(-c3nnc(-c4ccco4)o3)ccn2)c1.Cc1ccc(C)c(C(=O)Nc2cc(Cl)cc(-c3nnc(-c4ccco4)o3)c2)c1.Cc1ccc(C)c(C(=O)Nc2cc(F)cc(-c3nnc(-c4ccco4)o3)c2)c1.Cc1ccc(OCC(F)F)c(C(=O)Nc2cccc(-c3nnc(-c4ccco4)o3)c2)c1
InChIInChI=1S/C22H17F2N3O4.3C21H16ClN3O3.C21H16FN3O3.C20H16N4O3/c1-13-7-8-17(30-12-19(23)24)16(10-13)20(28)25-15-5-2-4-14(11-15)21-26-27-22(31-21)18-6-3-9-29-18;2*1-12-5-6-13(2)15(10-12)19(26)23-17-11-14(7-8-16(17)22)20-24-25-21(28-20)18-4-3-9-27-18;2*1-12-5-6-13(2)17(8-12)19(26)23-16-10-14(9-15(22)11-16)20-24-25-21(28-20)18-4-3-7-27-18;1-12-5-6-13(2)15(10-12)18(25)22-17-11-14(7-8-21-17)19-23-24-20(27-19)16-4-3-9-26-16/h2-11,19H,12H2,1H3,(H,25,28);4*3-11H,1-2H3,(H,23,26);3-11H,1-2H3,(H,21,22,25)
InChIKeyASXBYXRFHCXGSH-UHFFFAOYSA-N
MW2344.63 g/mol
LogP31.02
Rot. Bonds27

About bis(N-[2-chloro-5-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2,5-dimethylbenzamide);N-[3-chloro-5-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2,5-dimethylbenzamide;2-(2,2-difluoroethoxy)-N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-5-methylbenzamide;N-[3-fluoro-5-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2,5-dimethylbenzamide;N-[4-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-2,5-dimethylbenzamide

bis(N-[2-chloro-5-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2,5-dimethylbenzamide);N-[3-chloro-5-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2,5-dimethylbenzamide;2-(2,2-difluoroethoxy)-N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-5-methylbenzamide;N-[3-fluoro-5-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2,5-dimethylbenzamide;N-[4-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-2,5-dimethylbenzamide (PubChem CID 164952582) has the molecular formula C126H97Cl3F3N19O19 and a molecular weight of 2344.63 g/mol. Its IUPAC name is bis(N-[2-chloro-5-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2,5-dimethylbenzamide);N-[3-chloro-5-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2,5-dimethylbenzamide;2-(2,2-difluoroethoxy)-N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-5-methylbenzamide;N-[3-fluoro-5-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2,5-dimethylbenzamide;N-[4-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-2,5-dimethylbenzamide.

Molecular Properties

Compound Namebis(N-[2-chloro-5-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2,5-dimethylbenzamide);N-[3-chloro-5-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2,5-dimethylbenzamide;2-(2,2-difluoroethoxy)-N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-5-methylbenzamide;N-[3-fluoro-5-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2,5-dimethylbenzamide;N-[4-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-2,5-dimethylbenzamide
PubChem CID164952582
Molecular FormulaC126H97Cl3F3N19O19
Molecular Weight2344.63 g/mol
Exact Mass2341.62
IUPAC Namebis(N-[2-chloro-5-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2,5-dimethylbenzamide);N-[3-chloro-5-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2,5-dimethylbenzamide;2-(2,2-difluoroethoxy)-N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-5-methylbenzamide;N-[3-fluoro-5-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2,5-dimethylbenzamide;N-[4-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-2,5-dimethylbenzamide
SMILESCc1ccc(C)c(C(=O)Nc2cc(-c3nnc(-c4ccco4)o3)ccc2Cl)c1.Cc1ccc(C)c(C(=O)Nc2cc(-c3nnc(-c4ccco4)o3)ccc2Cl)c1.Cc1ccc(C)c(C(=O)Nc2cc(-c3nnc(-c4ccco4)o3)ccn2)c1.Cc1ccc(C)c(C(=O)Nc2cc(Cl)cc(-c3nnc(-c4ccco4)o3)c2)c1.Cc1ccc(C)c(C(=O)Nc2cc(F)cc(-c3nnc(-c4ccco4)o3)c2)c1.Cc1ccc(OCC(F)F)c(C(=O)Nc2cccc(-c3nnc(-c4ccco4)o3)c2)c1
InChIInChI=1S/C22H17F2N3O4.3C21H16ClN3O3.C21H16FN3O3.C20H16N4O3/c1-13-7-8-17(30-12-19(23)24)16(10-13)20(28)25-15-5-2-4-14(11-15)21-26-27-22(31-21)18-6-3-9-29-18;2*1-12-5-6-13(2)15(10-12)19(26)23-17-11-14(7-8-16(17)22)20-24-25-21(28-20)18-4-3-9-27-18;2*1-12-5-6-13(2)17(8-12)19(26)23-16-10-14(9-15(22)11-16)20-24-25-21(28-20)18-4-3-7-27-18;1-12-5-6-13(2)15(10-12)18(25)22-17-11-14(7-8-21-17)19-23-24-20(27-19)16-4-3-9-26-16/h2-11,19H,12H2,1H3,(H,25,28);4*3-11H,1-2H3,(H,23,26);3-11H,1-2H3,(H,21,22,25)
InChIKeyASXBYXRFHCXGSH-UHFFFAOYSA-N
XLogP31.02
TPSA509.08 Ų
H-Bond Donors6
H-Bond Acceptors32
Rotatable Bonds27
Heavy Atoms170
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002344.63
LogP ≤ 531.02
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1032

Analyze bis(N-[2-chloro-5-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2,5-dimethylbenzamide);N-[3-chloro-5-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2,5-dimethylbenzamide;2-(2,2-difluoroethoxy)-N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-5-methylbenzamide;N-[3-fluoro-5-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2,5-dimethylbenzamide;N-[4-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-2,5-dimethylbenzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis(N-[2-chloro-5-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2,5-dimethylbenzamide);N-[3-chloro-5-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2,5-dimethylbenzamide;2-(2,2-difluoroethoxy)-N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-5-methylbenzamide;N-[3-fluoro-5-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2,5-dimethylbenzamide;N-[4-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-2,5-dimethylbenzamide?
The IUPAC name of bis(N-[2-chloro-5-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2,5-dimethylbenzamide);N-[3-chloro-5-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2,5-dimethylbenzamide;2-(2,2-difluoroethoxy)-N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-5-methylbenzamide;N-[3-fluoro-5-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2,5-dimethylbenzamide;N-[4-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-2,5-dimethylbenzamide (CID 164952582) is bis(N-[2-chloro-5-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2,5-dimethylbenzamide);N-[3-chloro-5-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2,5-dimethylbenzamide;2-(2,2-difluoroethoxy)-N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-5-methylbenzamide;N-[3-fluoro-5-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2,5-dimethylbenzamide;N-[4-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-2,5-dimethylbenzamide.
What is the SMILES notation for bis(N-[2-chloro-5-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2,5-dimethylbenzamide);N-[3-chloro-5-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2,5-dimethylbenzamide;2-(2,2-difluoroethoxy)-N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-5-methylbenzamide;N-[3-fluoro-5-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2,5-dimethylbenzamide;N-[4-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-2,5-dimethylbenzamide?
The canonical SMILES for bis(N-[2-chloro-5-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2,5-dimethylbenzamide);N-[3-chloro-5-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2,5-dimethylbenzamide;2-(2,2-difluoroethoxy)-N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-5-methylbenzamide;N-[3-fluoro-5-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2,5-dimethylbenzamide;N-[4-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-2,5-dimethylbenzamide is Cc1ccc(C)c(C(=O)Nc2cc(-c3nnc(-c4ccco4)o3)ccc2Cl)c1.Cc1ccc(C)c(C(=O)Nc2cc(-c3nnc(-c4ccco4)o3)ccc2Cl)c1.Cc1ccc(C)c(C(=O)Nc2cc(-c3nnc(-c4ccco4)o3)ccn2)c1.Cc1ccc(C)c(C(=O)Nc2cc(Cl)cc(-c3nnc(-c4ccco4)o3)c2)c1.Cc1ccc(C)c(C(=O)Nc2cc(F)cc(-c3nnc(-c4ccco4)o3)c2)c1.Cc1ccc(OCC(F)F)c(C(=O)Nc2cccc(-c3nnc(-c4ccco4)o3)c2)c1.
What is the InChIKey of bis(N-[2-chloro-5-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2,5-dimethylbenzamide);N-[3-chloro-5-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2,5-dimethylbenzamide;2-(2,2-difluoroethoxy)-N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-5-methylbenzamide;N-[3-fluoro-5-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2,5-dimethylbenzamide;N-[4-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-2,5-dimethylbenzamide?
The InChIKey is ASXBYXRFHCXGSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F2N3O4.3C21H16ClN3O3.C21H16FN3O3.C20H16N4O3/c1-13-7-8-17(30-12-19(23)24)16(10-13)20(28)25-15-5-2-4-14(11-15)21-26-27-22(31-21)18-6-3-9-29-18;2*1-12-5-6-13(2)15(10-12)19(26)23-17-11-14(7-8-16(17)22)20-24-25-21(28-20)18-4-3-9-27-18;2*1-12-5-6-13(2)17(8-12)19(26)23-16-10-14(9-15(22)11-16)20-24-25-21(28-20)18-4-3-7-27-18;1-12-5-6-13(2)15(10-12)18(25)22-17-11-14(7-8-21-17)19-23-24-20(27-19)16-4-3-9-26-16/h2-11,19H,12H2,1H3,(H,25,28);4*3-11H,1-2H3,(H,23,26);3-11H,1-2H3,(H,21,22,25).
What are the key properties of bis(N-[2-chloro-5-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2,5-dimethylbenzamide);N-[3-chloro-5-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2,5-dimethylbenzamide;2-(2,2-difluoroethoxy)-N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-5-methylbenzamide;N-[3-fluoro-5-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2,5-dimethylbenzamide;N-[4-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-2,5-dimethylbenzamide?
bis(N-[2-chloro-5-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2,5-dimethylbenzamide);N-[3-chloro-5-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2,5-dimethylbenzamide;2-(2,2-difluoroethoxy)-N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-5-methylbenzamide;N-[3-fluoro-5-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2,5-dimethylbenzamide;N-[4-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-2,5-dimethylbenzamide has a molecular weight of 2344.63 g/mol, XLogP of 31.02, 27 rotatable bonds, 6 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for bis(N-[2-chloro-5-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2,5-dimethylbenzamide);N-[3-chloro-5-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2,5-dimethylbenzamide;2-(2,2-difluoroethoxy)-N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-5-methylbenzamide;N-[3-fluoro-5-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2,5-dimethylbenzamide;N-[4-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-2,5-dimethylbenzamide is sourced from PubChem (CID 164952582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).