3-tert-butyl-N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-1,2-oxazole-5-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-N,3-dimethyl-1,2-oxazole-5-carboxamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(5-methyl-1,3,4-oxadiazol-2-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[2.1.1]hexanyl]pyridine-2-carboxamide

C83H89Cl4F3N12O15 — CID 158400663

IUPAC3-tert-butyl-N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-1,2-oxazole-5-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-N,3-dimethyl-1,2-oxazole-5-carboxamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(5-methyl-1,3,4-oxadiazol-2-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[2.1.1]hexanyl]pyridine-2-carboxamide
SMILESCC1CC2(NC(=O)c3cc(C(C)(C)C)no3)CCC1(NC(=O)COc1ccc(Cl)c(F)c1)CC2.Cc1cc(C(=O)N(C)C23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)on1.Cc1cc(OCC(=O)NC23CCC(NC(=O)c4ccccn4)(C2)C3)ccc1Cl.Cc1nnc(C(=O)CC23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)o1
InChIInChI=1S/C25H31ClFN3O4.C21H22ClN3O3.C19H19ClFN3O4.C18H17ClFN3O4/c1-15-13-24(29-22(32)19-12-20(30-34-19)23(2,3)4)7-9-25(15,10-8-24)28-21(31)14-33-16-5-6-17(26)18(27)11-16;1-14-10-15(5-6-16(14)22)28-11-18(26)24-20-7-8-21(12-20,13-20)25-19(27)17-4-2-3-9-23-17;1-11-5-15(28-23-11)17(26)24(2)19-8-18(9-19,10-19)22-16(25)7-27-12-3-4-13(20)14(21)6-12;1-10-22-23-16(27-10)14(24)5-17-7-18(8-17,9-17)21-15(25)6-26-11-2-3-12(19)13(20)4-11/h5-6,11-12,15H,7-10,13-14H2,1-4H3,(H,28,31)(H,29,32);2-6,9-10H,7-8,11-13H2,1H3,(H,24,26)(H,25,27);3-6H,7-10H2,1-2H3,(H,22,25);2-4H,5-9H2,1H3,(H,21,25)
InChIKeyGYBHGCNRCKQOSH-UHFFFAOYSA-N
MW1693.50 g/mol
LogP13.39
Rot. Bonds25

About 3-tert-butyl-N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-1,2-oxazole-5-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-N,3-dimethyl-1,2-oxazole-5-carboxamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(5-methyl-1,3,4-oxadiazol-2-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[2.1.1]hexanyl]pyridine-2-carboxamide

3-tert-butyl-N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-1,2-oxazole-5-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-N,3-dimethyl-1,2-oxazole-5-carboxamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(5-methyl-1,3,4-oxadiazol-2-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[2.1.1]hexanyl]pyridine-2-carboxamide (PubChem CID 158400663) has the molecular formula C83H89Cl4F3N12O15 and a molecular weight of 1693.50 g/mol. Its IUPAC name is 3-tert-butyl-N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-1,2-oxazole-5-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-N,3-dimethyl-1,2-oxazole-5-carboxamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(5-methyl-1,3,4-oxadiazol-2-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[2.1.1]hexanyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-tert-butyl-N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-1,2-oxazole-5-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-N,3-dimethyl-1,2-oxazole-5-carboxamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(5-methyl-1,3,4-oxadiazol-2-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[2.1.1]hexanyl]pyridine-2-carboxamide
PubChem CID158400663
Molecular FormulaC83H89Cl4F3N12O15
Molecular Weight1693.50 g/mol
Exact Mass1690.53
IUPAC Name3-tert-butyl-N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-1,2-oxazole-5-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-N,3-dimethyl-1,2-oxazole-5-carboxamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(5-methyl-1,3,4-oxadiazol-2-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[2.1.1]hexanyl]pyridine-2-carboxamide
SMILESCC1CC2(NC(=O)c3cc(C(C)(C)C)no3)CCC1(NC(=O)COc1ccc(Cl)c(F)c1)CC2.Cc1cc(C(=O)N(C)C23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)on1.Cc1cc(OCC(=O)NC23CCC(NC(=O)c4ccccn4)(C2)C3)ccc1Cl.Cc1nnc(C(=O)CC23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)o1
InChIInChI=1S/C25H31ClFN3O4.C21H22ClN3O3.C19H19ClFN3O4.C18H17ClFN3O4/c1-15-13-24(29-22(32)19-12-20(30-34-19)23(2,3)4)7-9-25(15,10-8-24)28-21(31)14-33-16-5-6-17(26)18(27)11-16;1-14-10-15(5-6-16(14)22)28-11-18(26)24-20-7-8-21(12-20,13-20)25-19(27)17-4-2-3-9-23-17;1-11-5-15(28-23-11)17(26)24(2)19-8-18(9-19,10-19)22-16(25)7-27-12-3-4-13(20)14(21)6-12;1-10-22-23-16(27-10)14(24)5-17-7-18(8-17,9-17)21-15(25)6-26-11-2-3-12(19)13(20)4-11/h5-6,11-12,15H,7-10,13-14H2,1-4H3,(H,28,31)(H,29,32);2-6,9-10H,7-8,11-13H2,1H3,(H,24,26)(H,25,27);3-6H,7-10H2,1-2H3,(H,22,25);2-4H,5-9H2,1H3,(H,21,25)
InChIKeyGYBHGCNRCKQOSH-UHFFFAOYSA-N
XLogP13.39
TPSA352.77 Ų
H-Bond Donors6
H-Bond Acceptors20
Rotatable Bonds25
Heavy Atoms117
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001693.50
LogP ≤ 513.39
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1020

Analyze 3-tert-butyl-N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-1,2-oxazole-5-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-N,3-dimethyl-1,2-oxazole-5-carboxamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(5-methyl-1,3,4-oxadiazol-2-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[2.1.1]hexanyl]pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-1,2-oxazole-5-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-N,3-dimethyl-1,2-oxazole-5-carboxamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(5-methyl-1,3,4-oxadiazol-2-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[2.1.1]hexanyl]pyridine-2-carboxamide?
The IUPAC name of 3-tert-butyl-N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-1,2-oxazole-5-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-N,3-dimethyl-1,2-oxazole-5-carboxamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(5-methyl-1,3,4-oxadiazol-2-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[2.1.1]hexanyl]pyridine-2-carboxamide (CID 158400663) is 3-tert-butyl-N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-1,2-oxazole-5-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-N,3-dimethyl-1,2-oxazole-5-carboxamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(5-methyl-1,3,4-oxadiazol-2-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[2.1.1]hexanyl]pyridine-2-carboxamide.
What is the SMILES notation for 3-tert-butyl-N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-1,2-oxazole-5-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-N,3-dimethyl-1,2-oxazole-5-carboxamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(5-methyl-1,3,4-oxadiazol-2-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[2.1.1]hexanyl]pyridine-2-carboxamide?
The canonical SMILES for 3-tert-butyl-N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-1,2-oxazole-5-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-N,3-dimethyl-1,2-oxazole-5-carboxamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(5-methyl-1,3,4-oxadiazol-2-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[2.1.1]hexanyl]pyridine-2-carboxamide is CC1CC2(NC(=O)c3cc(C(C)(C)C)no3)CCC1(NC(=O)COc1ccc(Cl)c(F)c1)CC2.Cc1cc(C(=O)N(C)C23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)on1.Cc1cc(OCC(=O)NC23CCC(NC(=O)c4ccccn4)(C2)C3)ccc1Cl.Cc1nnc(C(=O)CC23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)o1.
What is the InChIKey of 3-tert-butyl-N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-1,2-oxazole-5-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-N,3-dimethyl-1,2-oxazole-5-carboxamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(5-methyl-1,3,4-oxadiazol-2-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[2.1.1]hexanyl]pyridine-2-carboxamide?
The InChIKey is GYBHGCNRCKQOSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31ClFN3O4.C21H22ClN3O3.C19H19ClFN3O4.C18H17ClFN3O4/c1-15-13-24(29-22(32)19-12-20(30-34-19)23(2,3)4)7-9-25(15,10-8-24)28-21(31)14-33-16-5-6-17(26)18(27)11-16;1-14-10-15(5-6-16(14)22)28-11-18(26)24-20-7-8-21(12-20,13-20)25-19(27)17-4-2-3-9-23-17;1-11-5-15(28-23-11)17(26)24(2)19-8-18(9-19,10-19)22-16(25)7-27-12-3-4-13(20)14(21)6-12;1-10-22-23-16(27-10)14(24)5-17-7-18(8-17,9-17)21-15(25)6-26-11-2-3-12(19)13(20)4-11/h5-6,11-12,15H,7-10,13-14H2,1-4H3,(H,28,31)(H,29,32);2-6,9-10H,7-8,11-13H2,1H3,(H,24,26)(H,25,27);3-6H,7-10H2,1-2H3,(H,22,25);2-4H,5-9H2,1H3,(H,21,25).
What are the key properties of 3-tert-butyl-N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-1,2-oxazole-5-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-N,3-dimethyl-1,2-oxazole-5-carboxamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(5-methyl-1,3,4-oxadiazol-2-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[2.1.1]hexanyl]pyridine-2-carboxamide?
3-tert-butyl-N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-1,2-oxazole-5-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-N,3-dimethyl-1,2-oxazole-5-carboxamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(5-methyl-1,3,4-oxadiazol-2-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[2.1.1]hexanyl]pyridine-2-carboxamide has a molecular weight of 1693.50 g/mol, XLogP of 13.39, 25 rotatable bonds, 6 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-1,2-oxazole-5-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-N,3-dimethyl-1,2-oxazole-5-carboxamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(5-methyl-1,3,4-oxadiazol-2-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[2.1.1]hexanyl]pyridine-2-carboxamide is sourced from PubChem (CID 158400663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).