N-[(3S)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-3-(difluoromethyl)-1,2-oxazole-5-carboxamide;N-[(3S)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-5-ethyl-1,2-oxazole-3-carboxamide;N-[(3S)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]pyrazine-2-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-1,8-naphthyridine-2-carboxamide

C90H95Cl4F5N14O14 — CID 158571198

IUPACN-[(3S)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-3-(difluoromethyl)-1,2-oxazole-5-carboxamide;N-[(3S)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-5-ethyl-1,2-oxazole-3-carboxamide;N-[(3S)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]pyrazine-2-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-1,8-naphthyridine-2-carboxamide
SMILESCCc1cc(C(=O)NC23CCC(NC(=O)COc4ccc(Cl)c(F)c4)(CC2)[C@@H](C)C3)no1.C[C@H]1CC2(NC(=O)c3cc(C(F)F)no3)CCC1(NC(=O)COc1ccc(Cl)c(F)c1)CC2.C[C@H]1CC2(NC(=O)c3cnccn3)CCC1(NC(=O)COc1ccc(Cl)c(F)c1)CC2.Cc1cc(OCC(=O)NC23CC(NC(=O)c4ccc5cccnc5n4)(C2)C3)ccc1Cl
InChIInChI=1S/C23H27ClFN3O4.C23H21ClN4O3.C22H23ClF3N3O4.C22H24ClFN4O3/c1-3-15-11-19(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;1-14-9-16(5-6-17(14)24)31-10-19(29)27-22-11-23(12-22,13-22)28-21(30)18-7-4-15-3-2-8-25-20(15)26-18;1-12-10-21(28-20(31)17-9-16(19(25)26)29-33-17)4-6-22(12,7-5-21)27-18(30)11-32-13-2-3-14(23)15(24)8-13;1-14-11-21(28-20(30)18-12-25-8-9-26-18)4-6-22(14,7-5-21)27-19(29)13-31-15-2-3-16(23)17(24)10-15/h4-5,10-11,14H,3,6-9,12-13H2,1-2H3,(H,26,29)(H,27,30);2-9H,10-13H2,1H3,(H,27,29)(H,28,30);2-3,8-9,12,19H,4-7,10-11H2,1H3,(H,27,30)(H,28,31);2-3,8-10,12,14H,4-7,11,13H2,1H3,(H,27,29)(H,28,30)/t14-,22?,23?;;12-,21?,22?;14-,21?,22?/m0.00/s1
InChIKeyHSCGUJITCSQXJN-MNULMYPFSA-N
MW1833.64 g/mol
LogP14.94
Rot. Bonds26

About N-[(3S)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-3-(difluoromethyl)-1,2-oxazole-5-carboxamide;N-[(3S)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-5-ethyl-1,2-oxazole-3-carboxamide;N-[(3S)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]pyrazine-2-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-1,8-naphthyridine-2-carboxamide

N-[(3S)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-3-(difluoromethyl)-1,2-oxazole-5-carboxamide;N-[(3S)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-5-ethyl-1,2-oxazole-3-carboxamide;N-[(3S)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]pyrazine-2-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-1,8-naphthyridine-2-carboxamide (PubChem CID 158571198) has the molecular formula C90H95Cl4F5N14O14 and a molecular weight of 1833.64 g/mol. Its IUPAC name is N-[(3S)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-3-(difluoromethyl)-1,2-oxazole-5-carboxamide;N-[(3S)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-5-ethyl-1,2-oxazole-3-carboxamide;N-[(3S)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]pyrazine-2-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-1,8-naphthyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(3S)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-3-(difluoromethyl)-1,2-oxazole-5-carboxamide;N-[(3S)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-5-ethyl-1,2-oxazole-3-carboxamide;N-[(3S)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]pyrazine-2-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-1,8-naphthyridine-2-carboxamide
PubChem CID158571198
Molecular FormulaC90H95Cl4F5N14O14
Molecular Weight1833.64 g/mol
Exact Mass1830.58
IUPAC NameN-[(3S)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-3-(difluoromethyl)-1,2-oxazole-5-carboxamide;N-[(3S)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-5-ethyl-1,2-oxazole-3-carboxamide;N-[(3S)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]pyrazine-2-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-1,8-naphthyridine-2-carboxamide
SMILESCCc1cc(C(=O)NC23CCC(NC(=O)COc4ccc(Cl)c(F)c4)(CC2)[C@@H](C)C3)no1.C[C@H]1CC2(NC(=O)c3cc(C(F)F)no3)CCC1(NC(=O)COc1ccc(Cl)c(F)c1)CC2.C[C@H]1CC2(NC(=O)c3cnccn3)CCC1(NC(=O)COc1ccc(Cl)c(F)c1)CC2.Cc1cc(OCC(=O)NC23CC(NC(=O)c4ccc5cccnc5n4)(C2)C3)ccc1Cl
InChIInChI=1S/C23H27ClFN3O4.C23H21ClN4O3.C22H23ClF3N3O4.C22H24ClFN4O3/c1-3-15-11-19(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;1-14-9-16(5-6-17(14)24)31-10-19(29)27-22-11-23(12-22,13-22)28-21(30)18-7-4-15-3-2-8-25-20(15)26-18;1-12-10-21(28-20(31)17-9-16(19(25)26)29-33-17)4-6-22(12,7-5-21)27-18(30)11-32-13-2-3-14(23)15(24)8-13;1-14-11-21(28-20(30)18-12-25-8-9-26-18)4-6-22(14,7-5-21)27-19(29)13-31-15-2-3-16(23)17(24)10-15/h4-5,10-11,14H,3,6-9,12-13H2,1-2H3,(H,26,29)(H,27,30);2-9H,10-13H2,1H3,(H,27,29)(H,28,30);2-3,8-9,12,19H,4-7,10-11H2,1H3,(H,27,30)(H,28,31);2-3,8-10,12,14H,4-7,11,13H2,1H3,(H,27,29)(H,28,30)/t14-,22?,23?;;12-,21?,22?;14-,21?,22?/m0.00/s1
InChIKeyHSCGUJITCSQXJN-MNULMYPFSA-N
XLogP14.94
TPSA373.34 Ų
H-Bond Donors8
H-Bond Acceptors20
Rotatable Bonds26
Heavy Atoms127
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001833.64
LogP ≤ 514.94
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1020

Analyze N-[(3S)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-3-(difluoromethyl)-1,2-oxazole-5-carboxamide;N-[(3S)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-5-ethyl-1,2-oxazole-3-carboxamide;N-[(3S)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]pyrazine-2-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-1,8-naphthyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-3-(difluoromethyl)-1,2-oxazole-5-carboxamide;N-[(3S)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-5-ethyl-1,2-oxazole-3-carboxamide;N-[(3S)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]pyrazine-2-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-1,8-naphthyridine-2-carboxamide?
The IUPAC name of N-[(3S)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-3-(difluoromethyl)-1,2-oxazole-5-carboxamide;N-[(3S)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-5-ethyl-1,2-oxazole-3-carboxamide;N-[(3S)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]pyrazine-2-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-1,8-naphthyridine-2-carboxamide (CID 158571198) is N-[(3S)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-3-(difluoromethyl)-1,2-oxazole-5-carboxamide;N-[(3S)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-5-ethyl-1,2-oxazole-3-carboxamide;N-[(3S)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]pyrazine-2-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-1,8-naphthyridine-2-carboxamide.
What is the SMILES notation for N-[(3S)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-3-(difluoromethyl)-1,2-oxazole-5-carboxamide;N-[(3S)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-5-ethyl-1,2-oxazole-3-carboxamide;N-[(3S)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]pyrazine-2-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-1,8-naphthyridine-2-carboxamide?
The canonical SMILES for N-[(3S)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-3-(difluoromethyl)-1,2-oxazole-5-carboxamide;N-[(3S)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-5-ethyl-1,2-oxazole-3-carboxamide;N-[(3S)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]pyrazine-2-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-1,8-naphthyridine-2-carboxamide is CCc1cc(C(=O)NC23CCC(NC(=O)COc4ccc(Cl)c(F)c4)(CC2)[C@@H](C)C3)no1.C[C@H]1CC2(NC(=O)c3cc(C(F)F)no3)CCC1(NC(=O)COc1ccc(Cl)c(F)c1)CC2.C[C@H]1CC2(NC(=O)c3cnccn3)CCC1(NC(=O)COc1ccc(Cl)c(F)c1)CC2.Cc1cc(OCC(=O)NC23CC(NC(=O)c4ccc5cccnc5n4)(C2)C3)ccc1Cl.
What is the InChIKey of N-[(3S)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-3-(difluoromethyl)-1,2-oxazole-5-carboxamide;N-[(3S)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-5-ethyl-1,2-oxazole-3-carboxamide;N-[(3S)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]pyrazine-2-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-1,8-naphthyridine-2-carboxamide?
The InChIKey is HSCGUJITCSQXJN-MNULMYPFSA-N. The full InChI is InChI=1S/C23H27ClFN3O4.C23H21ClN4O3.C22H23ClF3N3O4.C22H24ClFN4O3/c1-3-15-11-19(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;1-14-9-16(5-6-17(14)24)31-10-19(29)27-22-11-23(12-22,13-22)28-21(30)18-7-4-15-3-2-8-25-20(15)26-18;1-12-10-21(28-20(31)17-9-16(19(25)26)29-33-17)4-6-22(12,7-5-21)27-18(30)11-32-13-2-3-14(23)15(24)8-13;1-14-11-21(28-20(30)18-12-25-8-9-26-18)4-6-22(14,7-5-21)27-19(29)13-31-15-2-3-16(23)17(24)10-15/h4-5,10-11,14H,3,6-9,12-13H2,1-2H3,(H,26,29)(H,27,30);2-9H,10-13H2,1H3,(H,27,29)(H,28,30);2-3,8-9,12,19H,4-7,10-11H2,1H3,(H,27,30)(H,28,31);2-3,8-10,12,14H,4-7,11,13H2,1H3,(H,27,29)(H,28,30)/t14-,22?,23?;;12-,21?,22?;14-,21?,22?/m0.00/s1.
What are the key properties of N-[(3S)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-3-(difluoromethyl)-1,2-oxazole-5-carboxamide;N-[(3S)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-5-ethyl-1,2-oxazole-3-carboxamide;N-[(3S)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]pyrazine-2-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-1,8-naphthyridine-2-carboxamide?
N-[(3S)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-3-(difluoromethyl)-1,2-oxazole-5-carboxamide;N-[(3S)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-5-ethyl-1,2-oxazole-3-carboxamide;N-[(3S)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]pyrazine-2-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-1,8-naphthyridine-2-carboxamide has a molecular weight of 1833.64 g/mol, XLogP of 14.94, 26 rotatable bonds, 8 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-3-(difluoromethyl)-1,2-oxazole-5-carboxamide;N-[(3S)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-5-ethyl-1,2-oxazole-3-carboxamide;N-[(3S)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]pyrazine-2-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-1,8-naphthyridine-2-carboxamide is sourced from PubChem (CID 158571198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).