5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-[4-(pyrazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-[4-(pyrrol-1-ylmethyl)phenyl]-1,2,4-oxadiazole;1-[(1S,2S)-2-[2-[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]ethyl]cyclopentyl]ethanone

C75H64F3N19O6 — CID 158995530

IUPAC5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-[4-(pyrazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-[4-(pyrrol-1-ylmethyl)phenyl]-1,2,4-oxadiazole;1-[(1S,2S)-2-[2-[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]ethyl]cyclopentyl]ethanone
SMILESCC(=O)[C@H]1CCC[C@H]1CCc1ccc(-c2noc(-c3nnn(-c4ccccc4F)c3-c3ccncc3)n2)cc1.COCc1c(-c2nc(-c3ccc(Cn4cccc4)cc3)no2)nnn1-c1ccccc1F.COCc1c(-c2nc(-c3ccc(Cn4cccn4)cc3)no2)nnn1-c1ccccc1F
InChIInChI=1S/C30H27FN6O2.C23H19FN6O2.C22H18FN7O2/c1-19(38)24-6-4-5-21(24)12-9-20-10-13-23(14-11-20)29-33-30(39-35-29)27-28(22-15-17-32-18-16-22)37(36-34-27)26-8-3-2-7-25(26)31;1-31-15-20-21(26-28-30(20)19-7-3-2-6-18(19)24)23-25-22(27-32-23)17-10-8-16(9-11-17)14-29-12-4-5-13-29;1-31-14-19-20(26-28-30(19)18-6-3-2-5-17(18)23)22-25-21(27-32-22)16-9-7-15(8-10-16)13-29-12-4-11-24-29/h2-3,7-8,10-11,13-18,21,24H,4-6,9,12H2,1H3;2-13H,14-15H2,1H3;2-12H,13-14H2,1H3/t21-,24+;;/m0../s1
InChIKeyJQRRJOJGOJHZKJ-XPILPSHQSA-N
MW1384.46 g/mol
LogP13.76
Rot. Bonds22

About 5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-[4-(pyrazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-[4-(pyrrol-1-ylmethyl)phenyl]-1,2,4-oxadiazole;1-[(1S,2S)-2-[2-[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]ethyl]cyclopentyl]ethanone

5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-[4-(pyrazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-[4-(pyrrol-1-ylmethyl)phenyl]-1,2,4-oxadiazole;1-[(1S,2S)-2-[2-[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]ethyl]cyclopentyl]ethanone (PubChem CID 158995530) has the molecular formula C75H64F3N19O6 and a molecular weight of 1384.46 g/mol. Its IUPAC name is 5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-[4-(pyrazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-[4-(pyrrol-1-ylmethyl)phenyl]-1,2,4-oxadiazole;1-[(1S,2S)-2-[2-[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]ethyl]cyclopentyl]ethanone.

Molecular Properties

Compound Name5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-[4-(pyrazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-[4-(pyrrol-1-ylmethyl)phenyl]-1,2,4-oxadiazole;1-[(1S,2S)-2-[2-[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]ethyl]cyclopentyl]ethanone
PubChem CID158995530
Molecular FormulaC75H64F3N19O6
Molecular Weight1384.46 g/mol
Exact Mass1383.52
IUPAC Name5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-[4-(pyrazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-[4-(pyrrol-1-ylmethyl)phenyl]-1,2,4-oxadiazole;1-[(1S,2S)-2-[2-[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]ethyl]cyclopentyl]ethanone
SMILESCC(=O)[C@H]1CCC[C@H]1CCc1ccc(-c2noc(-c3nnn(-c4ccccc4F)c3-c3ccncc3)n2)cc1.COCc1c(-c2nc(-c3ccc(Cn4cccc4)cc3)no2)nnn1-c1ccccc1F.COCc1c(-c2nc(-c3ccc(Cn4cccn4)cc3)no2)nnn1-c1ccccc1F
InChIInChI=1S/C30H27FN6O2.C23H19FN6O2.C22H18FN7O2/c1-19(38)24-6-4-5-21(24)12-9-20-10-13-23(14-11-20)29-33-30(39-35-29)27-28(22-15-17-32-18-16-22)37(36-34-27)26-8-3-2-7-25(26)31;1-31-15-20-21(26-28-30(20)19-7-3-2-6-18(19)24)23-25-22(27-32-23)17-10-8-16(9-11-17)14-29-12-4-5-13-29;1-31-14-19-20(26-28-30(19)18-6-3-2-5-17(18)23)22-25-21(27-32-22)16-9-7-15(8-10-16)13-29-12-4-11-24-29/h2-3,7-8,10-11,13-18,21,24H,4-6,9,12H2,1H3;2-13H,14-15H2,1H3;2-12H,13-14H2,1H3/t21-,24+;;/m0../s1
InChIKeyJQRRJOJGOJHZKJ-XPILPSHQSA-N
XLogP13.76
TPSA280.06 Ų
H-Bond Donors
H-Bond Acceptors25
Rotatable Bonds22
Heavy Atoms103
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001384.46
LogP ≤ 513.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1025

Analyze 5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-[4-(pyrazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-[4-(pyrrol-1-ylmethyl)phenyl]-1,2,4-oxadiazole;1-[(1S,2S)-2-[2-[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]ethyl]cyclopentyl]ethanone with MolForge

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Related Compounds

5-[1-(2-Fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-[4-(pyrazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole
CID 59604083
2,4-Bis[6-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]-2,3-dihydroindol-1-yl]pentan-3-one
CID 141239759
2-amino-7-methyl-1-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;5-amino-1-methyl-6-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[4,5-d]pyrimidin-7-one;5-amino-1-methyl-6-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]triazolo[4,5-d]pyrimidin-7-one;2-amino-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-(trifluoromethyl)imidazo[5,1-f][1,2,4]triazin-4-one;2,8-dideuterio-7-methyl-1-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;2,7-dimethyl-1-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one
CID 159369586
2-amino-7,8-dimethyl-1-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;5-amino-1-methyl-6-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[4,5-d]pyrimidin-7-one;2-amino-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-(trifluoromethyl)imidazo[5,1-f][1,2,4]triazin-4-one;1-methyl-6-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[4,5-d]pyrimidin-7-one;5-methyl-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7H-pyrrolo[3,2-d]pyrimidine-4,6-dione;5-methyl-3-[[3-[(3R,5R)-5-(5-methyl-2-pyridinyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[5,1-f][1,2,4]triazin-4-one;3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 161936028
5-[5-Benzyl-1-(2-fluorophenyl)triazol-4-yl]-3-(2-fluorophenyl)-1,2,4-oxadiazole;3-(2,5-difluorophenyl)-5-[1-(2-fluorophenyl)-5-(oxan-4-yl)triazol-4-yl]-1,2,4-oxadiazole;3-(2-fluorophenyl)-5-[1-(2-fluorophenyl)-5-(oxan-4-yl)triazol-4-yl]-1,2,4-oxadiazole;4-[[3-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]morpholine;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-[3-(1,2,4-triazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole
CID 157062968
5-[5-Cyclopentyl-1-(2-fluorophenyl)triazol-4-yl]-3-(2-fluorophenyl)-1,2,4-oxadiazole;5-[5-cyclopentyl-1-(2-fluorophenyl)triazol-4-yl]-3-pyridin-3-yl-1,2,4-oxadiazole;3-(4-ethylphenyl)-5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-1,2,4-oxadiazole;3-(4-ethylphenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-[3-(pyrrol-1-ylmethyl)phenyl]-1,2,4-oxadiazole
CID 158003857
5-[5-Butyl-1-(2-fluorophenyl)triazol-4-yl]-3-(2-fluorophenyl)-1,2,4-oxadiazole;5-[5-butyl-1-(2-fluorophenyl)triazol-4-yl]-3-phenyl-1,2,4-oxadiazole;3-(2-fluorophenyl)-5-[1-(2-fluorophenyl)-5-phenyltriazol-4-yl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-phenyl-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-phenyltriazol-4-yl]-3-phenyl-1,2,4-oxadiazole
CID 158083516
7-amino-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one;3-methyl-5-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]imidazo[4,5-c]pyridin-4-one;3-methyl-5-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]imidazo[4,5-d]pyridazin-4-one;7-methyl-1-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;5-methyl-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[5,1-f][1,2,4]triazin-4-one;9-methyl-2-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[1,2-a]pyrazine-1,6-dione;5-methyl-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one
CID 158239923
2-amino-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one;1-[[3-[(3R,5R)-5-deuterio-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;5-methyl-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[5,1-f][1,2,4]triazin-4-one;4-methyl-7-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrimido[1,2-c]pyrimidine-2,6-dione;3-methyl-5-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]triazolo[4,5-c]pyridin-4-one
CID 158244702
3-(2,5-difluorophenyl)-5-[1-(2-fluorophenyl)-5-(2-methoxyethyl)triazol-4-yl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(2-methoxyethyl)triazol-4-yl]-3-pyridin-3-yl-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-pyridin-3-yl-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yl-4,5-dihydrotriazol-4-yl]-3-(1H-inden-5-yl)-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-pyridin-2-yl-1,2,4-oxadiazole
CID 158291734
bis(2-amino-5-methyl-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[5,1-f][1,2,4]triazin-4-one);2,7-dimethyl-1-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;bis(3-methyl-5-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]imidazo[4,5-c]pyridin-4-one);bis(7-methyl-1-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one);5-methyl-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[5,1-f][1,2,4]triazin-4-one
CID 158962463
1-[[3-[(3R,5R)-5-(4-fluoro-3-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;bis(3-methyl-5-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]imidazo[4,5-c]pyridin-4-one);3-methyl-5-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]imidazo[4,5-d]pyridazin-4-one;7-methyl-1-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;bis(5-methyl-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[5,1-f][1,2,4]triazin-4-one);3-methyl-5-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]triazolo[4,5-c]pyridin-4-one
CID 159479812

Frequently Asked Questions

What is the IUPAC name of 5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-[4-(pyrazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-[4-(pyrrol-1-ylmethyl)phenyl]-1,2,4-oxadiazole;1-[(1S,2S)-2-[2-[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]ethyl]cyclopentyl]ethanone?
The IUPAC name of 5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-[4-(pyrazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-[4-(pyrrol-1-ylmethyl)phenyl]-1,2,4-oxadiazole;1-[(1S,2S)-2-[2-[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]ethyl]cyclopentyl]ethanone (CID 158995530) is 5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-[4-(pyrazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-[4-(pyrrol-1-ylmethyl)phenyl]-1,2,4-oxadiazole;1-[(1S,2S)-2-[2-[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]ethyl]cyclopentyl]ethanone.
What is the SMILES notation for 5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-[4-(pyrazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-[4-(pyrrol-1-ylmethyl)phenyl]-1,2,4-oxadiazole;1-[(1S,2S)-2-[2-[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]ethyl]cyclopentyl]ethanone?
The canonical SMILES for 5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-[4-(pyrazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-[4-(pyrrol-1-ylmethyl)phenyl]-1,2,4-oxadiazole;1-[(1S,2S)-2-[2-[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]ethyl]cyclopentyl]ethanone is CC(=O)[C@H]1CCC[C@H]1CCc1ccc(-c2noc(-c3nnn(-c4ccccc4F)c3-c3ccncc3)n2)cc1.COCc1c(-c2nc(-c3ccc(Cn4cccc4)cc3)no2)nnn1-c1ccccc1F.COCc1c(-c2nc(-c3ccc(Cn4cccn4)cc3)no2)nnn1-c1ccccc1F.
What is the InChIKey of 5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-[4-(pyrazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-[4-(pyrrol-1-ylmethyl)phenyl]-1,2,4-oxadiazole;1-[(1S,2S)-2-[2-[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]ethyl]cyclopentyl]ethanone?
The InChIKey is JQRRJOJGOJHZKJ-XPILPSHQSA-N. The full InChI is InChI=1S/C30H27FN6O2.C23H19FN6O2.C22H18FN7O2/c1-19(38)24-6-4-5-21(24)12-9-20-10-13-23(14-11-20)29-33-30(39-35-29)27-28(22-15-17-32-18-16-22)37(36-34-27)26-8-3-2-7-25(26)31;1-31-15-20-21(26-28-30(20)19-7-3-2-6-18(19)24)23-25-22(27-32-23)17-10-8-16(9-11-17)14-29-12-4-5-13-29;1-31-14-19-20(26-28-30(19)18-6-3-2-5-17(18)23)22-25-21(27-32-22)16-9-7-15(8-10-16)13-29-12-4-11-24-29/h2-3,7-8,10-11,13-18,21,24H,4-6,9,12H2,1H3;2-13H,14-15H2,1H3;2-12H,13-14H2,1H3/t21-,24+;;/m0../s1.
What are the key properties of 5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-[4-(pyrazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-[4-(pyrrol-1-ylmethyl)phenyl]-1,2,4-oxadiazole;1-[(1S,2S)-2-[2-[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]ethyl]cyclopentyl]ethanone?
5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-[4-(pyrazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-[4-(pyrrol-1-ylmethyl)phenyl]-1,2,4-oxadiazole;1-[(1S,2S)-2-[2-[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]ethyl]cyclopentyl]ethanone has a molecular weight of 1384.46 g/mol, XLogP of 13.76, 22 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-[4-(pyrazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole;5-[1-(2-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-3-[4-(pyrrol-1-ylmethyl)phenyl]-1,2,4-oxadiazole;1-[(1S,2S)-2-[2-[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]ethyl]cyclopentyl]ethanone is sourced from PubChem (CID 158995530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).