N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-5-ethyl-1,2-oxazole-3-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-3-methyl-1,2-oxazole-4-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-2-propan-2-yl-1,3-oxazole-4-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide

C90H101Cl4F3N14O15 — CID 162282232

IUPACN-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-5-ethyl-1,2-oxazole-3-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-3-methyl-1,2-oxazole-4-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-2-propan-2-yl-1,3-oxazole-4-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCC(C)c1nc(C(=O)NC23CCC(NC(=O)COc4ccc(Cl)c(F)c4)(CC2)C(C)C3)co1.CCc1cc(C(=O)NC23CCC(NC(=O)COc4ccc(Cl)c(F)c4)(CC2)C(C)C3)no1.Cc1cc(OCC(=O)NC23CC(NC(=O)c4cnc5[nH]ncc5c4)(C2)C3)ccc1Cl.Cc1nocc1C(=O)NC12CCC(NC(=O)COc3ccc(Cl)c(F)c3)(CC1)C(C)C2
InChIInChI=1S/C24H29ClFN3O4.C23H27ClFN3O4.C22H25ClFN3O4.C21H20ClN5O3/c1-14(2)22-27-19(12-33-22)21(31)29-23-6-8-24(9-7-23,15(3)11-23)28-20(30)13-32-16-4-5-17(25)18(26)10-16;1-3-15-11-19(28-32-15)21(30)27-22-6-8-23(9-7-22,14(2)12-22)26-20(29)13-31-16-4-5-17(24)18(25)10-16;1-13-10-21(26-20(29)16-11-31-27-14(16)2)5-7-22(13,8-6-21)25-19(28)12-30-15-3-4-17(23)18(24)9-15;1-12-4-15(2-3-16(12)22)30-8-17(28)25-20-9-21(10-20,11-20)26-19(29)14-5-13-7-24-27-18(13)23-6-14/h4-5,10,12,14-15H,6-9,11,13H2,1-3H3,(H,28,30)(H,29,31);4-5,10-11,14H,3,6-9,12-13H2,1-2H3,(H,26,29)(H,27,30);3-4,9,11,13H,5-8,10,12H2,1-2H3,(H,25,28)(H,26,29);2-7H,8-11H2,1H3,(H,25,28)(H,26,29)(H,23,24,27)
InChIKeyMKACFKSBHJJNHN-UHFFFAOYSA-N
MW1817.69 g/mol
LogP14.96
Rot. Bonds26

About N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-5-ethyl-1,2-oxazole-3-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-3-methyl-1,2-oxazole-4-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-2-propan-2-yl-1,3-oxazole-4-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide

N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-5-ethyl-1,2-oxazole-3-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-3-methyl-1,2-oxazole-4-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-2-propan-2-yl-1,3-oxazole-4-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 162282232) has the molecular formula C90H101Cl4F3N14O15 and a molecular weight of 1817.69 g/mol. Its IUPAC name is N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-5-ethyl-1,2-oxazole-3-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-3-methyl-1,2-oxazole-4-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-2-propan-2-yl-1,3-oxazole-4-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-5-ethyl-1,2-oxazole-3-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-3-methyl-1,2-oxazole-4-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-2-propan-2-yl-1,3-oxazole-4-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID162282232
Molecular FormulaC90H101Cl4F3N14O15
Molecular Weight1817.69 g/mol
Exact Mass1814.63
IUPAC NameN-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-5-ethyl-1,2-oxazole-3-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-3-methyl-1,2-oxazole-4-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-2-propan-2-yl-1,3-oxazole-4-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCC(C)c1nc(C(=O)NC23CCC(NC(=O)COc4ccc(Cl)c(F)c4)(CC2)C(C)C3)co1.CCc1cc(C(=O)NC23CCC(NC(=O)COc4ccc(Cl)c(F)c4)(CC2)C(C)C3)no1.Cc1cc(OCC(=O)NC23CC(NC(=O)c4cnc5[nH]ncc5c4)(C2)C3)ccc1Cl.Cc1nocc1C(=O)NC12CCC(NC(=O)COc3ccc(Cl)c(F)c3)(CC1)C(C)C2
InChIInChI=1S/C24H29ClFN3O4.C23H27ClFN3O4.C22H25ClFN3O4.C21H20ClN5O3/c1-14(2)22-27-19(12-33-22)21(31)29-23-6-8-24(9-7-23,15(3)11-23)28-20(30)13-32-16-4-5-17(25)18(26)10-16;1-3-15-11-19(28-32-15)21(30)27-22-6-8-23(9-7-22,14(2)12-22)26-20(29)13-31-16-4-5-17(24)18(25)10-16;1-13-10-21(26-20(29)16-11-31-27-14(16)2)5-7-22(13,8-6-21)25-19(28)12-30-15-3-4-17(23)18(24)9-15;1-12-4-15(2-3-16(12)22)30-8-17(28)25-20-9-21(10-20,11-20)26-19(29)14-5-13-7-24-27-18(13)23-6-14/h4-5,10,12,14-15H,6-9,11,13H2,1-3H3,(H,28,30)(H,29,31);4-5,10-11,14H,3,6-9,12-13H2,1-2H3,(H,26,29)(H,27,30);3-4,9,11,13H,5-8,10,12H2,1-2H3,(H,25,28)(H,26,29);2-7H,8-11H2,1H3,(H,25,28)(H,26,29)(H,23,24,27)
InChIKeyMKACFKSBHJJNHN-UHFFFAOYSA-N
XLogP14.96
TPSA389.38 Ų
H-Bond Donors9
H-Bond Acceptors20
Rotatable Bonds26
Heavy Atoms126
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001817.69
LogP ≤ 514.96
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1020

Analyze N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-5-ethyl-1,2-oxazole-3-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-3-methyl-1,2-oxazole-4-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-2-propan-2-yl-1,3-oxazole-4-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-5-ethyl-1,2-oxazole-3-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-3-methyl-1,2-oxazole-4-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-2-propan-2-yl-1,3-oxazole-4-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-5-ethyl-1,2-oxazole-3-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-3-methyl-1,2-oxazole-4-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-2-propan-2-yl-1,3-oxazole-4-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide (CID 162282232) is N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-5-ethyl-1,2-oxazole-3-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-3-methyl-1,2-oxazole-4-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-2-propan-2-yl-1,3-oxazole-4-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-5-ethyl-1,2-oxazole-3-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-3-methyl-1,2-oxazole-4-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-2-propan-2-yl-1,3-oxazole-4-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-5-ethyl-1,2-oxazole-3-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-3-methyl-1,2-oxazole-4-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-2-propan-2-yl-1,3-oxazole-4-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide is CC(C)c1nc(C(=O)NC23CCC(NC(=O)COc4ccc(Cl)c(F)c4)(CC2)C(C)C3)co1.CCc1cc(C(=O)NC23CCC(NC(=O)COc4ccc(Cl)c(F)c4)(CC2)C(C)C3)no1.Cc1cc(OCC(=O)NC23CC(NC(=O)c4cnc5[nH]ncc5c4)(C2)C3)ccc1Cl.Cc1nocc1C(=O)NC12CCC(NC(=O)COc3ccc(Cl)c(F)c3)(CC1)C(C)C2.
What is the InChIKey of N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-5-ethyl-1,2-oxazole-3-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-3-methyl-1,2-oxazole-4-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-2-propan-2-yl-1,3-oxazole-4-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is MKACFKSBHJJNHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29ClFN3O4.C23H27ClFN3O4.C22H25ClFN3O4.C21H20ClN5O3/c1-14(2)22-27-19(12-33-22)21(31)29-23-6-8-24(9-7-23,15(3)11-23)28-20(30)13-32-16-4-5-17(25)18(26)10-16;1-3-15-11-19(28-32-15)21(30)27-22-6-8-23(9-7-22,14(2)12-22)26-20(29)13-31-16-4-5-17(24)18(25)10-16;1-13-10-21(26-20(29)16-11-31-27-14(16)2)5-7-22(13,8-6-21)25-19(28)12-30-15-3-4-17(23)18(24)9-15;1-12-4-15(2-3-16(12)22)30-8-17(28)25-20-9-21(10-20,11-20)26-19(29)14-5-13-7-24-27-18(13)23-6-14/h4-5,10,12,14-15H,6-9,11,13H2,1-3H3,(H,28,30)(H,29,31);4-5,10-11,14H,3,6-9,12-13H2,1-2H3,(H,26,29)(H,27,30);3-4,9,11,13H,5-8,10,12H2,1-2H3,(H,25,28)(H,26,29);2-7H,8-11H2,1H3,(H,25,28)(H,26,29)(H,23,24,27).
What are the key properties of N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-5-ethyl-1,2-oxazole-3-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-3-methyl-1,2-oxazole-4-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-2-propan-2-yl-1,3-oxazole-4-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide?
N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-5-ethyl-1,2-oxazole-3-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-3-methyl-1,2-oxazole-4-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-2-propan-2-yl-1,3-oxazole-4-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 1817.69 g/mol, XLogP of 14.96, 26 rotatable bonds, 9 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-5-ethyl-1,2-oxazole-3-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-3-methyl-1,2-oxazole-4-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-2-propan-2-yl-1,3-oxazole-4-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 162282232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).