3-[4-[3-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-8-azabicyclo[3.2.1]octan-8-yl]phenyl]-4H-1,2,4-oxadiazol-5-one;3-[4-[3-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]pyrrolidin-1-yl]phenyl]-4H-1,2,4-oxadiazol-5-one;3-[4-[4-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]phenyl]-4H-1,2,4-oxadiazol-5-one;3-[4-[4-[[5-cyclopropyl-3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]phenyl]-4H-1,2,4-oxadiazol-5-one;3-[4-[4-[[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]phenyl]-4H-1,2,4-oxadiazol-5-one;3-[4-[4-[[3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]phenyl]-4H-1,2,4-oxadiazol-5-one

C157H146Cl8F6N24O25 — CID 164962473

IUPAC3-[4-[3-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-8-azabicyclo[3.2.1]octan-8-yl]phenyl]-4H-1,2,4-oxadiazol-5-one;3-[4-[3-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]pyrrolidin-1-yl]phenyl]-4H-1,2,4-oxadiazol-5-one;3-[4-[4-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]phenyl]-4H-1,2,4-oxadiazol-5-one;3-[4-[4-[[5-cyclopropyl-3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]phenyl]-4H-1,2,4-oxadiazol-5-one;3-[4-[4-[[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]phenyl]-4H-1,2,4-oxadiazol-5-one;3-[4-[4-[[3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]phenyl]-4H-1,2,4-oxadiazol-5-one
SMILESCC(C)c1onc(-c2c(Cl)cccc2Cl)c1COC1CCN(c2ccc(-c3noc(=O)[nH]3)cc2)CC1.Cc1onc(-c2c(Cl)cccc2Cl)c1COC1CCN(c2ccc(-c3noc(=O)[nH]3)cc2)CC1.O=c1[nH]c(-c2ccc(N3C4CCC3CC(OCc3c(-c5c(Cl)cccc5Cl)noc3C3CC3)C4)cc2)no1.O=c1[nH]c(-c2ccc(N3CCC(OCc4c(-c5c(Cl)cccc5Cl)noc4C4CC4)C3)cc2)no1.O=c1[nH]c(-c2ccc(N3CCC(OCc4c(-c5ccccc5C(F)(F)F)noc4C4CC4)CC3)cc2)no1.O=c1[nH]c(-c2ccc(N3CCC(OCc4c(-c5ccccc5OC(F)(F)F)noc4C4CC4)CC3)cc2)no1
InChIInChI=1S/C28H26Cl2N4O4.C27H25F3N4O5.C27H25F3N4O4.C26H26Cl2N4O4.C25H22Cl2N4O4.C24H22Cl2N4O4/c29-22-2-1-3-23(30)24(22)25-21(26(37-32-25)15-4-5-15)14-36-20-12-18-10-11-19(13-20)34(18)17-8-6-16(7-9-17)27-31-28(35)38-33-27;28-27(29,30)37-22-4-2-1-3-20(22)23-21(24(38-32-23)16-5-6-16)15-36-19-11-13-34(14-12-19)18-9-7-17(8-10-18)25-31-26(35)39-33-25;28-27(29,30)22-4-2-1-3-20(22)23-21(24(37-32-23)16-5-6-16)15-36-19-11-13-34(14-12-19)18-9-7-17(8-10-18)25-31-26(35)38-33-25;1-15(2)24-19(23(30-35-24)22-20(27)4-3-5-21(22)28)14-34-18-10-12-32(13-11-18)17-8-6-16(7-9-17)25-29-26(33)36-31-25;26-19-2-1-3-20(27)21(19)22-18(23(34-29-22)14-4-5-14)13-33-17-10-11-31(12-17)16-8-6-15(7-9-16)24-28-25(32)35-30-24;1-14-18(22(28-33-14)21-19(25)3-2-4-20(21)26)13-32-17-9-11-30(12-10-17)16-7-5-15(6-8-16)23-27-24(31)34-29-23/h1-3,6-9,15,18-20H,4-5,10-14H2,(H,31,33,35);1-4,7-10,16,19H,5-6,11-15H2,(H,31,33,35);1-4,7-10,16,19H,5-6,11-15H2,(H,31,33,35);3-9,15,18H,10-14H2,1-2H3,(H,29,31,33);1-3,6-9,14,17H,4-5,10-13H2,(H,28,30,32);2-8,17H,9-13H2,1H3,(H,27,29,31)
InChIKeyCAKOJTRFYAMKAK-UHFFFAOYSA-N
MW3166.65 g/mol
LogP35.45
Rot. Bonds42

About 3-[4-[3-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-8-azabicyclo[3.2.1]octan-8-yl]phenyl]-4H-1,2,4-oxadiazol-5-one;3-[4-[3-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]pyrrolidin-1-yl]phenyl]-4H-1,2,4-oxadiazol-5-one;3-[4-[4-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]phenyl]-4H-1,2,4-oxadiazol-5-one;3-[4-[4-[[5-cyclopropyl-3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]phenyl]-4H-1,2,4-oxadiazol-5-one;3-[4-[4-[[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]phenyl]-4H-1,2,4-oxadiazol-5-one;3-[4-[4-[[3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]phenyl]-4H-1,2,4-oxadiazol-5-one

3-[4-[3-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-8-azabicyclo[3.2.1]octan-8-yl]phenyl]-4H-1,2,4-oxadiazol-5-one;3-[4-[3-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]pyrrolidin-1-yl]phenyl]-4H-1,2,4-oxadiazol-5-one;3-[4-[4-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]phenyl]-4H-1,2,4-oxadiazol-5-one;3-[4-[4-[[5-cyclopropyl-3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]phenyl]-4H-1,2,4-oxadiazol-5-one;3-[4-[4-[[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]phenyl]-4H-1,2,4-oxadiazol-5-one;3-[4-[4-[[3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]phenyl]-4H-1,2,4-oxadiazol-5-one (PubChem CID 164962473) has the molecular formula C157H146Cl8F6N24O25 and a molecular weight of 3166.65 g/mol. Its IUPAC name is 3-[4-[3-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-8-azabicyclo[3.2.1]octan-8-yl]phenyl]-4H-1,2,4-oxadiazol-5-one;3-[4-[3-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]pyrrolidin-1-yl]phenyl]-4H-1,2,4-oxadiazol-5-one;3-[4-[4-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]phenyl]-4H-1,2,4-oxadiazol-5-one;3-[4-[4-[[5-cyclopropyl-3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]phenyl]-4H-1,2,4-oxadiazol-5-one;3-[4-[4-[[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]phenyl]-4H-1,2,4-oxadiazol-5-one;3-[4-[4-[[3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]phenyl]-4H-1,2,4-oxadiazol-5-one.

Molecular Properties

Compound Name3-[4-[3-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-8-azabicyclo[3.2.1]octan-8-yl]phenyl]-4H-1,2,4-oxadiazol-5-one;3-[4-[3-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]pyrrolidin-1-yl]phenyl]-4H-1,2,4-oxadiazol-5-one;3-[4-[4-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]phenyl]-4H-1,2,4-oxadiazol-5-one;3-[4-[4-[[5-cyclopropyl-3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]phenyl]-4H-1,2,4-oxadiazol-5-one;3-[4-[4-[[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]phenyl]-4H-1,2,4-oxadiazol-5-one;3-[4-[4-[[3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]phenyl]-4H-1,2,4-oxadiazol-5-one
PubChem CID164962473
Molecular FormulaC157H146Cl8F6N24O25
Molecular Weight3166.65 g/mol
Exact Mass3160.83
IUPAC Name3-[4-[3-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-8-azabicyclo[3.2.1]octan-8-yl]phenyl]-4H-1,2,4-oxadiazol-5-one;3-[4-[3-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]pyrrolidin-1-yl]phenyl]-4H-1,2,4-oxadiazol-5-one;3-[4-[4-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]phenyl]-4H-1,2,4-oxadiazol-5-one;3-[4-[4-[[5-cyclopropyl-3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]phenyl]-4H-1,2,4-oxadiazol-5-one;3-[4-[4-[[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]phenyl]-4H-1,2,4-oxadiazol-5-one;3-[4-[4-[[3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]phenyl]-4H-1,2,4-oxadiazol-5-one
SMILESCC(C)c1onc(-c2c(Cl)cccc2Cl)c1COC1CCN(c2ccc(-c3noc(=O)[nH]3)cc2)CC1.Cc1onc(-c2c(Cl)cccc2Cl)c1COC1CCN(c2ccc(-c3noc(=O)[nH]3)cc2)CC1.O=c1[nH]c(-c2ccc(N3C4CCC3CC(OCc3c(-c5c(Cl)cccc5Cl)noc3C3CC3)C4)cc2)no1.O=c1[nH]c(-c2ccc(N3CCC(OCc4c(-c5c(Cl)cccc5Cl)noc4C4CC4)C3)cc2)no1.O=c1[nH]c(-c2ccc(N3CCC(OCc4c(-c5ccccc5C(F)(F)F)noc4C4CC4)CC3)cc2)no1.O=c1[nH]c(-c2ccc(N3CCC(OCc4c(-c5ccccc5OC(F)(F)F)noc4C4CC4)CC3)cc2)no1
InChIInChI=1S/C28H26Cl2N4O4.C27H25F3N4O5.C27H25F3N4O4.C26H26Cl2N4O4.C25H22Cl2N4O4.C24H22Cl2N4O4/c29-22-2-1-3-23(30)24(22)25-21(26(37-32-25)15-4-5-15)14-36-20-12-18-10-11-19(13-20)34(18)17-8-6-16(7-9-17)27-31-28(35)38-33-27;28-27(29,30)37-22-4-2-1-3-20(22)23-21(24(38-32-23)16-5-6-16)15-36-19-11-13-34(14-12-19)18-9-7-17(8-10-18)25-31-26(35)39-33-25;28-27(29,30)22-4-2-1-3-20(22)23-21(24(37-32-23)16-5-6-16)15-36-19-11-13-34(14-12-19)18-9-7-17(8-10-18)25-31-26(35)38-33-25;1-15(2)24-19(23(30-35-24)22-20(27)4-3-5-21(22)28)14-34-18-10-12-32(13-11-18)17-8-6-16(7-9-17)25-29-26(33)36-31-25;26-19-2-1-3-20(27)21(19)22-18(23(34-29-22)14-4-5-14)13-33-17-10-11-31(12-17)16-8-6-15(7-9-16)24-28-25(32)35-30-24;1-14-18(22(28-33-14)21-19(25)3-2-4-20(21)26)13-32-17-9-11-30(12-10-17)16-7-5-15(6-8-16)23-27-24(31)34-29-23/h1-3,6-9,15,18-20H,4-5,10-14H2,(H,31,33,35);1-4,7-10,16,19H,5-6,11-15H2,(H,31,33,35);1-4,7-10,16,19H,5-6,11-15H2,(H,31,33,35);3-9,15,18H,10-14H2,1-2H3,(H,29,31,33);1-3,6-9,14,17H,4-5,10-13H2,(H,28,30,32);2-8,17H,9-13H2,1H3,(H,27,29,31)
InChIKeyCAKOJTRFYAMKAK-UHFFFAOYSA-N
XLogP35.45
TPSA593.57 Ų
H-Bond Donors6
H-Bond Acceptors43
Rotatable Bonds42
Heavy Atoms220
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003166.65
LogP ≤ 535.45
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1043

Analyze 3-[4-[3-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-8-azabicyclo[3.2.1]octan-8-yl]phenyl]-4H-1,2,4-oxadiazol-5-one;3-[4-[3-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]pyrrolidin-1-yl]phenyl]-4H-1,2,4-oxadiazol-5-one;3-[4-[4-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]phenyl]-4H-1,2,4-oxadiazol-5-one;3-[4-[4-[[5-cyclopropyl-3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]phenyl]-4H-1,2,4-oxadiazol-5-one;3-[4-[4-[[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]phenyl]-4H-1,2,4-oxadiazol-5-one;3-[4-[4-[[3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]phenyl]-4H-1,2,4-oxadiazol-5-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[3-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-8-azabicyclo[3.2.1]octan-8-yl]phenyl]-4H-1,2,4-oxadiazol-5-one;3-[4-[3-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]pyrrolidin-1-yl]phenyl]-4H-1,2,4-oxadiazol-5-one;3-[4-[4-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]phenyl]-4H-1,2,4-oxadiazol-5-one;3-[4-[4-[[5-cyclopropyl-3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]phenyl]-4H-1,2,4-oxadiazol-5-one;3-[4-[4-[[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]phenyl]-4H-1,2,4-oxadiazol-5-one;3-[4-[4-[[3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]phenyl]-4H-1,2,4-oxadiazol-5-one?
The IUPAC name of 3-[4-[3-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-8-azabicyclo[3.2.1]octan-8-yl]phenyl]-4H-1,2,4-oxadiazol-5-one;3-[4-[3-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]pyrrolidin-1-yl]phenyl]-4H-1,2,4-oxadiazol-5-one;3-[4-[4-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]phenyl]-4H-1,2,4-oxadiazol-5-one;3-[4-[4-[[5-cyclopropyl-3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]phenyl]-4H-1,2,4-oxadiazol-5-one;3-[4-[4-[[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]phenyl]-4H-1,2,4-oxadiazol-5-one;3-[4-[4-[[3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]phenyl]-4H-1,2,4-oxadiazol-5-one (CID 164962473) is 3-[4-[3-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-8-azabicyclo[3.2.1]octan-8-yl]phenyl]-4H-1,2,4-oxadiazol-5-one;3-[4-[3-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]pyrrolidin-1-yl]phenyl]-4H-1,2,4-oxadiazol-5-one;3-[4-[4-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]phenyl]-4H-1,2,4-oxadiazol-5-one;3-[4-[4-[[5-cyclopropyl-3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]phenyl]-4H-1,2,4-oxadiazol-5-one;3-[4-[4-[[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]phenyl]-4H-1,2,4-oxadiazol-5-one;3-[4-[4-[[3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]phenyl]-4H-1,2,4-oxadiazol-5-one.
What is the SMILES notation for 3-[4-[3-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-8-azabicyclo[3.2.1]octan-8-yl]phenyl]-4H-1,2,4-oxadiazol-5-one;3-[4-[3-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]pyrrolidin-1-yl]phenyl]-4H-1,2,4-oxadiazol-5-one;3-[4-[4-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]phenyl]-4H-1,2,4-oxadiazol-5-one;3-[4-[4-[[5-cyclopropyl-3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]phenyl]-4H-1,2,4-oxadiazol-5-one;3-[4-[4-[[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]phenyl]-4H-1,2,4-oxadiazol-5-one;3-[4-[4-[[3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]phenyl]-4H-1,2,4-oxadiazol-5-one?
The canonical SMILES for 3-[4-[3-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-8-azabicyclo[3.2.1]octan-8-yl]phenyl]-4H-1,2,4-oxadiazol-5-one;3-[4-[3-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]pyrrolidin-1-yl]phenyl]-4H-1,2,4-oxadiazol-5-one;3-[4-[4-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]phenyl]-4H-1,2,4-oxadiazol-5-one;3-[4-[4-[[5-cyclopropyl-3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]phenyl]-4H-1,2,4-oxadiazol-5-one;3-[4-[4-[[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]phenyl]-4H-1,2,4-oxadiazol-5-one;3-[4-[4-[[3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]phenyl]-4H-1,2,4-oxadiazol-5-one is CC(C)c1onc(-c2c(Cl)cccc2Cl)c1COC1CCN(c2ccc(-c3noc(=O)[nH]3)cc2)CC1.Cc1onc(-c2c(Cl)cccc2Cl)c1COC1CCN(c2ccc(-c3noc(=O)[nH]3)cc2)CC1.O=c1[nH]c(-c2ccc(N3C4CCC3CC(OCc3c(-c5c(Cl)cccc5Cl)noc3C3CC3)C4)cc2)no1.O=c1[nH]c(-c2ccc(N3CCC(OCc4c(-c5c(Cl)cccc5Cl)noc4C4CC4)C3)cc2)no1.O=c1[nH]c(-c2ccc(N3CCC(OCc4c(-c5ccccc5C(F)(F)F)noc4C4CC4)CC3)cc2)no1.O=c1[nH]c(-c2ccc(N3CCC(OCc4c(-c5ccccc5OC(F)(F)F)noc4C4CC4)CC3)cc2)no1.
What is the InChIKey of 3-[4-[3-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-8-azabicyclo[3.2.1]octan-8-yl]phenyl]-4H-1,2,4-oxadiazol-5-one;3-[4-[3-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]pyrrolidin-1-yl]phenyl]-4H-1,2,4-oxadiazol-5-one;3-[4-[4-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]phenyl]-4H-1,2,4-oxadiazol-5-one;3-[4-[4-[[5-cyclopropyl-3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]phenyl]-4H-1,2,4-oxadiazol-5-one;3-[4-[4-[[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]phenyl]-4H-1,2,4-oxadiazol-5-one;3-[4-[4-[[3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]phenyl]-4H-1,2,4-oxadiazol-5-one?
The InChIKey is CAKOJTRFYAMKAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26Cl2N4O4.C27H25F3N4O5.C27H25F3N4O4.C26H26Cl2N4O4.C25H22Cl2N4O4.C24H22Cl2N4O4/c29-22-2-1-3-23(30)24(22)25-21(26(37-32-25)15-4-5-15)14-36-20-12-18-10-11-19(13-20)34(18)17-8-6-16(7-9-17)27-31-28(35)38-33-27;28-27(29,30)37-22-4-2-1-3-20(22)23-21(24(38-32-23)16-5-6-16)15-36-19-11-13-34(14-12-19)18-9-7-17(8-10-18)25-31-26(35)39-33-25;28-27(29,30)22-4-2-1-3-20(22)23-21(24(37-32-23)16-5-6-16)15-36-19-11-13-34(14-12-19)18-9-7-17(8-10-18)25-31-26(35)38-33-25;1-15(2)24-19(23(30-35-24)22-20(27)4-3-5-21(22)28)14-34-18-10-12-32(13-11-18)17-8-6-16(7-9-17)25-29-26(33)36-31-25;26-19-2-1-3-20(27)21(19)22-18(23(34-29-22)14-4-5-14)13-33-17-10-11-31(12-17)16-8-6-15(7-9-16)24-28-25(32)35-30-24;1-14-18(22(28-33-14)21-19(25)3-2-4-20(21)26)13-32-17-9-11-30(12-10-17)16-7-5-15(6-8-16)23-27-24(31)34-29-23/h1-3,6-9,15,18-20H,4-5,10-14H2,(H,31,33,35);1-4,7-10,16,19H,5-6,11-15H2,(H,31,33,35);1-4,7-10,16,19H,5-6,11-15H2,(H,31,33,35);3-9,15,18H,10-14H2,1-2H3,(H,29,31,33);1-3,6-9,14,17H,4-5,10-13H2,(H,28,30,32);2-8,17H,9-13H2,1H3,(H,27,29,31).
What are the key properties of 3-[4-[3-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-8-azabicyclo[3.2.1]octan-8-yl]phenyl]-4H-1,2,4-oxadiazol-5-one;3-[4-[3-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]pyrrolidin-1-yl]phenyl]-4H-1,2,4-oxadiazol-5-one;3-[4-[4-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]phenyl]-4H-1,2,4-oxadiazol-5-one;3-[4-[4-[[5-cyclopropyl-3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]phenyl]-4H-1,2,4-oxadiazol-5-one;3-[4-[4-[[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]phenyl]-4H-1,2,4-oxadiazol-5-one;3-[4-[4-[[3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]phenyl]-4H-1,2,4-oxadiazol-5-one?
3-[4-[3-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-8-azabicyclo[3.2.1]octan-8-yl]phenyl]-4H-1,2,4-oxadiazol-5-one;3-[4-[3-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]pyrrolidin-1-yl]phenyl]-4H-1,2,4-oxadiazol-5-one;3-[4-[4-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]phenyl]-4H-1,2,4-oxadiazol-5-one;3-[4-[4-[[5-cyclopropyl-3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]phenyl]-4H-1,2,4-oxadiazol-5-one;3-[4-[4-[[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]phenyl]-4H-1,2,4-oxadiazol-5-one;3-[4-[4-[[3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]phenyl]-4H-1,2,4-oxadiazol-5-one has a molecular weight of 3166.65 g/mol, XLogP of 35.45, 42 rotatable bonds, 6 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[3-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-8-azabicyclo[3.2.1]octan-8-yl]phenyl]-4H-1,2,4-oxadiazol-5-one;3-[4-[3-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]pyrrolidin-1-yl]phenyl]-4H-1,2,4-oxadiazol-5-one;3-[4-[4-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]phenyl]-4H-1,2,4-oxadiazol-5-one;3-[4-[4-[[5-cyclopropyl-3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]phenyl]-4H-1,2,4-oxadiazol-5-one;3-[4-[4-[[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]phenyl]-4H-1,2,4-oxadiazol-5-one;3-[4-[4-[[3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]phenyl]-4H-1,2,4-oxadiazol-5-one is sourced from PubChem (CID 164962473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).