N-[2-[2-[[1-(3-chloro-2-fluorophenyl)cyclobutyl]methyl]pyrimidin-5-yl]-2-oxoethyl]-2,2,2-trifluoroacetamide;2-[2-[[1-(3-chloro-2-fluorophenyl)cyclobutyl]methyl]pyrimidin-5-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole

C37H29Cl2F8N7O3 — CID 159319150

IUPACN-[2-[2-[[1-(3-chloro-2-fluorophenyl)cyclobutyl]methyl]pyrimidin-5-yl]-2-oxoethyl]-2,2,2-trifluoroacetamide;2-[2-[[1-(3-chloro-2-fluorophenyl)cyclobutyl]methyl]pyrimidin-5-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole
SMILESFc1c(Cl)cccc1C1(Cc2ncc(-c3nnc(C(F)(F)F)o3)cn2)CCC1.O=C(CNC(=O)C(F)(F)F)c1cnc(CC2(c3cccc(Cl)c3F)CCC2)nc1
InChIInChI=1S/C19H16ClF4N3O2.C18H13ClF4N4O/c20-13-4-1-3-12(16(13)21)18(5-2-6-18)7-15-25-8-11(9-26-15)14(28)10-27-17(29)19(22,23)24;19-12-4-1-3-11(14(12)20)17(5-2-6-17)7-13-24-8-10(9-25-13)15-26-27-16(28-15)18(21,22)23/h1,3-4,8-9H,2,5-7,10H2,(H,27,29);1,3-4,8-9H,2,5-7H2
InChIKeyLDNKMOSMTZTPAL-UHFFFAOYSA-N
MW842.57 g/mol
LogP8.80
Rot. Bonds10

About N-[2-[2-[[1-(3-chloro-2-fluorophenyl)cyclobutyl]methyl]pyrimidin-5-yl]-2-oxoethyl]-2,2,2-trifluoroacetamide;2-[2-[[1-(3-chloro-2-fluorophenyl)cyclobutyl]methyl]pyrimidin-5-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole

N-[2-[2-[[1-(3-chloro-2-fluorophenyl)cyclobutyl]methyl]pyrimidin-5-yl]-2-oxoethyl]-2,2,2-trifluoroacetamide;2-[2-[[1-(3-chloro-2-fluorophenyl)cyclobutyl]methyl]pyrimidin-5-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole (PubChem CID 159319150) has the molecular formula C37H29Cl2F8N7O3 and a molecular weight of 842.57 g/mol. Its IUPAC name is N-[2-[2-[[1-(3-chloro-2-fluorophenyl)cyclobutyl]methyl]pyrimidin-5-yl]-2-oxoethyl]-2,2,2-trifluoroacetamide;2-[2-[[1-(3-chloro-2-fluorophenyl)cyclobutyl]methyl]pyrimidin-5-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole.

Molecular Properties

Compound NameN-[2-[2-[[1-(3-chloro-2-fluorophenyl)cyclobutyl]methyl]pyrimidin-5-yl]-2-oxoethyl]-2,2,2-trifluoroacetamide;2-[2-[[1-(3-chloro-2-fluorophenyl)cyclobutyl]methyl]pyrimidin-5-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole
PubChem CID159319150
Molecular FormulaC37H29Cl2F8N7O3
Molecular Weight842.57 g/mol
Exact Mass841.16
IUPAC NameN-[2-[2-[[1-(3-chloro-2-fluorophenyl)cyclobutyl]methyl]pyrimidin-5-yl]-2-oxoethyl]-2,2,2-trifluoroacetamide;2-[2-[[1-(3-chloro-2-fluorophenyl)cyclobutyl]methyl]pyrimidin-5-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole
SMILESFc1c(Cl)cccc1C1(Cc2ncc(-c3nnc(C(F)(F)F)o3)cn2)CCC1.O=C(CNC(=O)C(F)(F)F)c1cnc(CC2(c3cccc(Cl)c3F)CCC2)nc1
InChIInChI=1S/C19H16ClF4N3O2.C18H13ClF4N4O/c20-13-4-1-3-12(16(13)21)18(5-2-6-18)7-15-25-8-11(9-26-15)14(28)10-27-17(29)19(22,23)24;19-12-4-1-3-11(14(12)20)17(5-2-6-17)7-13-24-8-10(9-25-13)15-26-27-16(28-15)18(21,22)23/h1,3-4,8-9H,2,5-7,10H2,(H,27,29);1,3-4,8-9H,2,5-7H2
InChIKeyLDNKMOSMTZTPAL-UHFFFAOYSA-N
XLogP8.80
TPSA136.65 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500842.57
LogP ≤ 58.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-[2-[2-[[1-(3-chloro-2-fluorophenyl)cyclobutyl]methyl]pyrimidin-5-yl]-2-oxoethyl]-2,2,2-trifluoroacetamide;2-[2-[[1-(3-chloro-2-fluorophenyl)cyclobutyl]methyl]pyrimidin-5-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole with MolForge

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

Launch Full Analysis

Related Compounds

2-[2-[[1-(2-chlorophenyl)cyclobutyl]methyl]pyrimidin-5-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole
CID 161312583
N-[2-[2-[[1-(2-chloro-4-fluorophenyl)cyclobutyl]methyl]pyrimidin-5-yl]-2-oxoethyl]-2,2,2-trifluoroacetamide
CID 159016659
2,2,2-trifluoro-N-[2-oxo-2-[2-[[1-[2-(trifluoromethoxy)phenyl]cyclobutyl]methyl]pyrimidin-5-yl]ethyl]acetamide
CID 159976252
2-[2-[[1-(4-fluorophenyl)cyclobutyl]methyl]pyrimidin-5-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole
CID 147772733
2-amino-1-[2-[[1-(4-fluorophenyl)cyclobutyl]methyl]pyrimidin-5-yl]ethanone;2,2,2-trifluoro-N-[2-[2-[[1-(4-fluorophenyl)cyclobutyl]methyl]pyrimidin-5-yl]-2-oxoethyl]acetamide
CID 160601199
2,2,2-trifluoro-N-[2-[2-[[1-(4-fluorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-oxoethyl]acetamide
CID 159975321
N-[2-[2-[[1-(2,6-dichlorophenyl)cyclobutyl]methyl]pyrimidin-5-yl]-2-oxoethyl]-2,2-difluoroacetamide
CID 159031367
2-[2-[[1-(4-methylphenyl)cyclobutyl]methyl]pyrimidin-5-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole
CID 147892163
2-[2-[(1-phenylcyclopropyl)methyl]pyrimidin-5-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole
CID 159326233
N-phenyl-N-[[4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]cyclohexanecarboxamide;N-phenyl-N-[[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]cyclohexanecarboxamide
CID 158350384
N-phenyl-N-[[5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]methanesulfonamide;2,2,2-trifluoro-N-[2-[6-[(N-methylsulfonylanilino)methyl]-3-pyridinyl]-2-oxoethyl]acetamide
CID 161465823
N-phenyl-N-[[4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]pyrrolidine-1-carboxamide;N-phenyl-N-[[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]pyrrolidine-1-carboxamide
CID 157312462

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[[1-(3-chloro-2-fluorophenyl)cyclobutyl]methyl]pyrimidin-5-yl]-2-oxoethyl]-2,2,2-trifluoroacetamide;2-[2-[[1-(3-chloro-2-fluorophenyl)cyclobutyl]methyl]pyrimidin-5-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole?
The IUPAC name of N-[2-[2-[[1-(3-chloro-2-fluorophenyl)cyclobutyl]methyl]pyrimidin-5-yl]-2-oxoethyl]-2,2,2-trifluoroacetamide;2-[2-[[1-(3-chloro-2-fluorophenyl)cyclobutyl]methyl]pyrimidin-5-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole (CID 159319150) is N-[2-[2-[[1-(3-chloro-2-fluorophenyl)cyclobutyl]methyl]pyrimidin-5-yl]-2-oxoethyl]-2,2,2-trifluoroacetamide;2-[2-[[1-(3-chloro-2-fluorophenyl)cyclobutyl]methyl]pyrimidin-5-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole.
What is the SMILES notation for N-[2-[2-[[1-(3-chloro-2-fluorophenyl)cyclobutyl]methyl]pyrimidin-5-yl]-2-oxoethyl]-2,2,2-trifluoroacetamide;2-[2-[[1-(3-chloro-2-fluorophenyl)cyclobutyl]methyl]pyrimidin-5-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole?
The canonical SMILES for N-[2-[2-[[1-(3-chloro-2-fluorophenyl)cyclobutyl]methyl]pyrimidin-5-yl]-2-oxoethyl]-2,2,2-trifluoroacetamide;2-[2-[[1-(3-chloro-2-fluorophenyl)cyclobutyl]methyl]pyrimidin-5-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole is Fc1c(Cl)cccc1C1(Cc2ncc(-c3nnc(C(F)(F)F)o3)cn2)CCC1.O=C(CNC(=O)C(F)(F)F)c1cnc(CC2(c3cccc(Cl)c3F)CCC2)nc1.
What is the InChIKey of N-[2-[2-[[1-(3-chloro-2-fluorophenyl)cyclobutyl]methyl]pyrimidin-5-yl]-2-oxoethyl]-2,2,2-trifluoroacetamide;2-[2-[[1-(3-chloro-2-fluorophenyl)cyclobutyl]methyl]pyrimidin-5-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole?
The InChIKey is LDNKMOSMTZTPAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClF4N3O2.C18H13ClF4N4O/c20-13-4-1-3-12(16(13)21)18(5-2-6-18)7-15-25-8-11(9-26-15)14(28)10-27-17(29)19(22,23)24;19-12-4-1-3-11(14(12)20)17(5-2-6-17)7-13-24-8-10(9-25-13)15-26-27-16(28-15)18(21,22)23/h1,3-4,8-9H,2,5-7,10H2,(H,27,29);1,3-4,8-9H,2,5-7H2.
What are the key properties of N-[2-[2-[[1-(3-chloro-2-fluorophenyl)cyclobutyl]methyl]pyrimidin-5-yl]-2-oxoethyl]-2,2,2-trifluoroacetamide;2-[2-[[1-(3-chloro-2-fluorophenyl)cyclobutyl]methyl]pyrimidin-5-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole?
N-[2-[2-[[1-(3-chloro-2-fluorophenyl)cyclobutyl]methyl]pyrimidin-5-yl]-2-oxoethyl]-2,2,2-trifluoroacetamide;2-[2-[[1-(3-chloro-2-fluorophenyl)cyclobutyl]methyl]pyrimidin-5-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole has a molecular weight of 842.57 g/mol, XLogP of 8.80, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[[1-(3-chloro-2-fluorophenyl)cyclobutyl]methyl]pyrimidin-5-yl]-2-oxoethyl]-2,2,2-trifluoroacetamide;2-[2-[[1-(3-chloro-2-fluorophenyl)cyclobutyl]methyl]pyrimidin-5-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole is sourced from PubChem (CID 159319150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).