3-[[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]methyl]-1,2,4-oxadiazole-5-carbonitrile;5-[[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]methyl]-1,3,4-oxadiazole-2-carbonitrile;5-[[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]methyl]-1,3-oxazole-2-carbonitrile;5-[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]-1,3,4-oxadiazole-2-carbonitrile

C116H87N23O8 — CID 160975513

IUPAC3-[[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]methyl]-1,2,4-oxadiazole-5-carbonitrile;5-[[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]methyl]-1,3,4-oxadiazole-2-carbonitrile;5-[[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]methyl]-1,3-oxazole-2-carbonitrile;5-[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]-1,3,4-oxadiazole-2-carbonitrile
SMILESCc1ccc(CC(=O)c2ccc(-c3nnc(C#N)o3)cc2)cc1Cc1nccc(-c2cccnc2)n1.Cc1ccc(CC(=O)c2ccc(Cc3cnc(C#N)o3)cc2)cc1Cc1nccc(-c2cccnc2)n1.Cc1ccc(CC(=O)c2ccc(Cc3nnc(C#N)o3)cc2)cc1Cc1nccc(-c2cccnc2)n1.Cc1ccc(CC(=O)c2ccc(Cc3noc(C#N)n3)cc2)cc1Cc1nccc(-c2cccnc2)n1
InChIInChI=1S/C30H23N5O2.2C29H22N6O2.C28H20N6O2/c1-20-4-5-22(13-25(20)16-29-33-12-10-27(35-29)24-3-2-11-32-18-24)15-28(36)23-8-6-21(7-9-23)14-26-19-34-30(17-31)37-26;1-19-4-5-21(13-24(19)16-27-32-12-10-25(33-27)23-3-2-11-31-18-23)14-26(36)22-8-6-20(7-9-22)15-28-34-35-29(17-30)37-28;1-19-4-5-21(13-24(19)16-27-32-12-10-25(33-27)23-3-2-11-31-18-23)14-26(36)22-8-6-20(7-9-22)15-28-34-29(17-30)37-35-28;1-18-4-5-19(13-23(18)15-26-31-12-10-24(32-26)22-3-2-11-30-17-22)14-25(35)20-6-8-21(9-7-20)28-34-33-27(16-29)36-28/h2-13,18-19H,14-16H2,1H3;2*2-13,18H,14-16H2,1H3;2-13,17H,14-15H2,1H3
InChIKeySYUSXOWRUKRZHQ-UHFFFAOYSA-N
MW1931.12 g/mol
LogP19.52
Rot. Bonds31

About 3-[[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]methyl]-1,2,4-oxadiazole-5-carbonitrile;5-[[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]methyl]-1,3,4-oxadiazole-2-carbonitrile;5-[[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]methyl]-1,3-oxazole-2-carbonitrile;5-[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]-1,3,4-oxadiazole-2-carbonitrile

3-[[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]methyl]-1,2,4-oxadiazole-5-carbonitrile;5-[[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]methyl]-1,3,4-oxadiazole-2-carbonitrile;5-[[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]methyl]-1,3-oxazole-2-carbonitrile;5-[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]-1,3,4-oxadiazole-2-carbonitrile (PubChem CID 160975513) has the molecular formula C116H87N23O8 and a molecular weight of 1931.12 g/mol. Its IUPAC name is 3-[[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]methyl]-1,2,4-oxadiazole-5-carbonitrile;5-[[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]methyl]-1,3,4-oxadiazole-2-carbonitrile;5-[[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]methyl]-1,3-oxazole-2-carbonitrile;5-[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]-1,3,4-oxadiazole-2-carbonitrile.

Molecular Properties

Compound Name3-[[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]methyl]-1,2,4-oxadiazole-5-carbonitrile;5-[[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]methyl]-1,3,4-oxadiazole-2-carbonitrile;5-[[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]methyl]-1,3-oxazole-2-carbonitrile;5-[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]-1,3,4-oxadiazole-2-carbonitrile
PubChem CID160975513
Molecular FormulaC116H87N23O8
Molecular Weight1931.12 g/mol
Exact Mass1929.71
IUPAC Name3-[[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]methyl]-1,2,4-oxadiazole-5-carbonitrile;5-[[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]methyl]-1,3,4-oxadiazole-2-carbonitrile;5-[[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]methyl]-1,3-oxazole-2-carbonitrile;5-[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]-1,3,4-oxadiazole-2-carbonitrile
SMILESCc1ccc(CC(=O)c2ccc(-c3nnc(C#N)o3)cc2)cc1Cc1nccc(-c2cccnc2)n1.Cc1ccc(CC(=O)c2ccc(Cc3cnc(C#N)o3)cc2)cc1Cc1nccc(-c2cccnc2)n1.Cc1ccc(CC(=O)c2ccc(Cc3nnc(C#N)o3)cc2)cc1Cc1nccc(-c2cccnc2)n1.Cc1ccc(CC(=O)c2ccc(Cc3noc(C#N)n3)cc2)cc1Cc1nccc(-c2cccnc2)n1
InChIInChI=1S/C30H23N5O2.2C29H22N6O2.C28H20N6O2/c1-20-4-5-22(13-25(20)16-29-33-12-10-27(35-29)24-3-2-11-32-18-24)15-28(36)23-8-6-21(7-9-23)14-26-19-34-30(17-31)37-26;1-19-4-5-21(13-24(19)16-27-32-12-10-25(33-27)23-3-2-11-31-18-23)14-26(36)22-8-6-20(7-9-22)15-28-34-35-29(17-30)37-28;1-19-4-5-21(13-24(19)16-27-32-12-10-25(33-27)23-3-2-11-31-18-23)14-26(36)22-8-6-20(7-9-22)15-28-34-29(17-30)37-35-28;1-18-4-5-19(13-23(18)15-26-31-12-10-24(32-26)22-3-2-11-30-17-22)14-25(35)20-6-8-21(9-7-20)28-34-33-27(16-29)36-28/h2-13,18-19H,14-16H2,1H3;2*2-13,18H,14-16H2,1H3;2-13,17H,14-15H2,1H3
InChIKeySYUSXOWRUKRZHQ-UHFFFAOYSA-N
XLogP19.52
TPSA460.91 Ų
H-Bond Donors
H-Bond Acceptors31
Rotatable Bonds31
Heavy Atoms147
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001931.12
LogP ≤ 519.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1031

Analyze 3-[[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]methyl]-1,2,4-oxadiazole-5-carbonitrile;5-[[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]methyl]-1,3,4-oxadiazole-2-carbonitrile;5-[[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]methyl]-1,3-oxazole-2-carbonitrile;5-[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]-1,3,4-oxadiazole-2-carbonitrile with MolForge

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Related Compounds

(5S)-2-(3-cyclopropyl-1H-isoindol-5-yl)-7-[2-[4-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]piperazin-1-yl]-2-oxoethyl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-7-[2-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2-[3-[2-(trifluoromethyl)-4-pyridinyl]-1H-isoindol-5-yl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-7-[2-[4-[4-(5-methyl-1,3-oxazol-2-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2-[3-[2-(trifluoromethyl)-4-pyridinyl]-1H-isoindol-5-yl]-2,7-diazaspiro[4.4]nonan-1-one
CID 159409363
(5S)-7-[2-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2-[3-[2-(trifluoromethyl)-4-pyridinyl]-1H-isoindol-5-yl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-7-[2-[4-[4-(5-methyl-1,3-oxazol-2-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2-[3-[2-(trifluoromethyl)-4-pyridinyl]-1H-isoindol-5-yl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-7-[2-[4-[4-(1-methyltriazol-4-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2-[3-[2-(trifluoromethyl)-4-pyridinyl]-1H-isoindol-5-yl]-2,7-diazaspiro[4.4]nonan-1-one
CID 161841959
3-methyl-4,5-diphenyl-1,2,4-triazole;3-methyl-5-(4-methylphenyl)-4-phenyl-1,2,4-triazole;3-methyl-4-phenyl-5-(4-phenylphenyl)-1,2,4-triazole;5-phenyl-2-[4-[(E)-prop-1-enyl]phenyl]-1,3-oxazole
CID 91230797
3-[3-Methyl-8-[6-(3-phenyl-2-pyridinyl)-2-pyridinyl]pyrido[4,3-b]indol-5-yl]-5-[6-[4-[3-methyl-8-[6-(3-phenyl-2-pyridinyl)-2-pyridinyl]pyrido[4,3-b]indol-5-yl]-1,3-oxazol-2-yl]naphthalen-2-yl]-1,3,4-oxadiazol-3-ium
CID 123581659
2-(4-Anthracen-9-ylphenyl)-5-phenyl-1,3,4-oxadiazole;3-(4-anthracen-9-ylphenyl)-5-phenyl-1,2,4-oxadiazole;2-(4-anthracen-9-ylphenyl)-5-phenyl-1,3-oxazole;4-(4-anthracen-9-ylphenyl)-2-phenyl-1,3-oxazole;2-(4-anthracen-9-ylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole
CID 157125544
2-[4-[4-[4-(1,3-Benzoxazol-2-yl)phenyl]-6-(6-phenyl-2-pyridinyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4-[4-(1,3-benzoxazol-2-yl)phenyl]-6-(3-pyridin-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4-[4-(1,3-benzoxazol-2-yl)phenyl]-6-(4-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4-[4-(1,3-benzoxazol-2-yl)phenyl]-6-(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4-[4-(1,3-benzoxazol-2-yl)phenyl]-6-(3-pyrimidin-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4-[4-(1,3-benzoxazol-2-yl)phenyl]-6-(3-pyrimidin-5-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4-[4-(1,3-benzoxazol-2-yl)phenyl]-6-(4-pyrimidin-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4-[4-(1,3-benzoxazol-2-yl)phenyl]-6-(4-pyrimidin-5-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole
CID 157126195
2-[4-[4,6-Bis(3-pyridin-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-bis(3-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-bis(4-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-bis(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-bis(2-pyridin-2-yl-4-pyridinyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-bis(3-pyrimidin-5-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole
CID 157139801
4-[(5-cyano-1,2,4-oxadiazol-3-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;4-[(5-cyano-1,3,4-oxadiazol-2-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;4-(5-cyano-1,2,4-oxadiazol-3-yl)-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;4-(5-cyano-1,3,4-oxadiazol-2-yl)-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;4-[(2-cyano-1,3-oxazol-5-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide
CID 157444891
2-[4-[4-[4-(1,3-Benzoxazol-2-yl)phenyl]-6-(3-pyridin-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4-[4-(1,3-benzoxazol-2-yl)phenyl]-6-(4-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4-[4-(1,3-benzoxazol-2-yl)phenyl]-6-(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4-[4-(1,3-benzoxazol-2-yl)phenyl]-6-(3-pyrimidin-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4-[4-(1,3-benzoxazol-2-yl)phenyl]-6-(4-pyrimidin-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4-[4-(1,3-benzoxazol-2-yl)phenyl]-6-(4-pyrimidin-5-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole
CID 157708935
3-[[4-[2-[4-Methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]methyl]-1,2,4-oxadiazole-5-carbonitrile;5-[[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]methyl]-1,3,4-oxadiazole-2-carbonitrile;3-[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]-1,2,4-oxadiazole-5-carbonitrile;5-[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]-1,3,4-oxadiazole-2-carbonitrile
CID 157904489
2-[3-(2,6-Dimethyl-4-phenylphenyl)benzene-6-id-1-yl]pyridine;3,5-dimethyl-1-phenyl-4-(4-phenylphenyl)pyrazole;tris(iridium(3+));1-methyl-2-phenyl-5-(4-phenylphenyl)imidazole;2-phenyl-5-(4-phenylphenyl)-1,3-oxazole;tris(1-phenyl-4-(4-phenylphenyl)pyrazole);2-phenyl-4-(4-phenylphenyl)pyridine;4-phenyl-2-phenylpyridine
CID 158196574
6-[[7-(3-Fluoro-2-pyrimidin-2-ylbenzoyl)-7-azabicyclo[2.2.1]heptan-2-yl]methyl]pyridine-3-carbonitrile;6-[[7-[3-methyl-2-(1,3-oxazol-2-yl)benzoyl]-7-azabicyclo[2.2.1]heptan-2-yl]methyl]pyridine-3-carbonitrile;6-[[7-(3-methyl-2-pyrimidin-2-ylbenzoyl)-7-azabicyclo[2.2.1]heptan-2-yl]methyl]pyridine-3-carbonitrile
CID 158231674

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]methyl]-1,2,4-oxadiazole-5-carbonitrile;5-[[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]methyl]-1,3,4-oxadiazole-2-carbonitrile;5-[[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]methyl]-1,3-oxazole-2-carbonitrile;5-[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]-1,3,4-oxadiazole-2-carbonitrile?
The IUPAC name of 3-[[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]methyl]-1,2,4-oxadiazole-5-carbonitrile;5-[[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]methyl]-1,3,4-oxadiazole-2-carbonitrile;5-[[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]methyl]-1,3-oxazole-2-carbonitrile;5-[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]-1,3,4-oxadiazole-2-carbonitrile (CID 160975513) is 3-[[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]methyl]-1,2,4-oxadiazole-5-carbonitrile;5-[[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]methyl]-1,3,4-oxadiazole-2-carbonitrile;5-[[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]methyl]-1,3-oxazole-2-carbonitrile;5-[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]-1,3,4-oxadiazole-2-carbonitrile.
What is the SMILES notation for 3-[[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]methyl]-1,2,4-oxadiazole-5-carbonitrile;5-[[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]methyl]-1,3,4-oxadiazole-2-carbonitrile;5-[[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]methyl]-1,3-oxazole-2-carbonitrile;5-[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]-1,3,4-oxadiazole-2-carbonitrile?
The canonical SMILES for 3-[[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]methyl]-1,2,4-oxadiazole-5-carbonitrile;5-[[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]methyl]-1,3,4-oxadiazole-2-carbonitrile;5-[[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]methyl]-1,3-oxazole-2-carbonitrile;5-[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]-1,3,4-oxadiazole-2-carbonitrile is Cc1ccc(CC(=O)c2ccc(-c3nnc(C#N)o3)cc2)cc1Cc1nccc(-c2cccnc2)n1.Cc1ccc(CC(=O)c2ccc(Cc3cnc(C#N)o3)cc2)cc1Cc1nccc(-c2cccnc2)n1.Cc1ccc(CC(=O)c2ccc(Cc3nnc(C#N)o3)cc2)cc1Cc1nccc(-c2cccnc2)n1.Cc1ccc(CC(=O)c2ccc(Cc3noc(C#N)n3)cc2)cc1Cc1nccc(-c2cccnc2)n1.
What is the InChIKey of 3-[[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]methyl]-1,2,4-oxadiazole-5-carbonitrile;5-[[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]methyl]-1,3,4-oxadiazole-2-carbonitrile;5-[[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]methyl]-1,3-oxazole-2-carbonitrile;5-[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]-1,3,4-oxadiazole-2-carbonitrile?
The InChIKey is SYUSXOWRUKRZHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23N5O2.2C29H22N6O2.C28H20N6O2/c1-20-4-5-22(13-25(20)16-29-33-12-10-27(35-29)24-3-2-11-32-18-24)15-28(36)23-8-6-21(7-9-23)14-26-19-34-30(17-31)37-26;1-19-4-5-21(13-24(19)16-27-32-12-10-25(33-27)23-3-2-11-31-18-23)14-26(36)22-8-6-20(7-9-22)15-28-34-35-29(17-30)37-28;1-19-4-5-21(13-24(19)16-27-32-12-10-25(33-27)23-3-2-11-31-18-23)14-26(36)22-8-6-20(7-9-22)15-28-34-29(17-30)37-35-28;1-18-4-5-19(13-23(18)15-26-31-12-10-24(32-26)22-3-2-11-30-17-22)14-25(35)20-6-8-21(9-7-20)28-34-33-27(16-29)36-28/h2-13,18-19H,14-16H2,1H3;2*2-13,18H,14-16H2,1H3;2-13,17H,14-15H2,1H3.
What are the key properties of 3-[[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]methyl]-1,2,4-oxadiazole-5-carbonitrile;5-[[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]methyl]-1,3,4-oxadiazole-2-carbonitrile;5-[[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]methyl]-1,3-oxazole-2-carbonitrile;5-[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]-1,3,4-oxadiazole-2-carbonitrile?
3-[[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]methyl]-1,2,4-oxadiazole-5-carbonitrile;5-[[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]methyl]-1,3,4-oxadiazole-2-carbonitrile;5-[[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]methyl]-1,3-oxazole-2-carbonitrile;5-[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]-1,3,4-oxadiazole-2-carbonitrile has a molecular weight of 1931.12 g/mol, XLogP of 19.52, 31 rotatable bonds, 0 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]methyl]-1,2,4-oxadiazole-5-carbonitrile;5-[[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]methyl]-1,3,4-oxadiazole-2-carbonitrile;5-[[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]methyl]-1,3-oxazole-2-carbonitrile;5-[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]-1,3,4-oxadiazole-2-carbonitrile is sourced from PubChem (CID 160975513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).