4-[2-[1-[(2-fluorophenyl)methyl]-5-(1,3-oxazol-4-yl)-1,2,4-triazol-3-yl]-4-pyridinyl]morpholine;2-[1-[(2-fluorophenyl)methyl]-5-(triazol-1-yl)-1,2,4-triazol-3-yl]pyridine;2-[1-[(2-fluorophenyl)methyl]-5-(triazol-2-yl)-1,2,4-triazol-3-yl]pyridine

C53H43F3N20O2 — CID 161356270

IUPAC4-[2-[1-[(2-fluorophenyl)methyl]-5-(1,3-oxazol-4-yl)-1,2,4-triazol-3-yl]-4-pyridinyl]morpholine;2-[1-[(2-fluorophenyl)methyl]-5-(triazol-1-yl)-1,2,4-triazol-3-yl]pyridine;2-[1-[(2-fluorophenyl)methyl]-5-(triazol-2-yl)-1,2,4-triazol-3-yl]pyridine
SMILESFc1ccccc1Cn1nc(-c2cc(N3CCOCC3)ccn2)nc1-c1cocn1.Fc1ccccc1Cn1nc(-c2ccccn2)nc1-n1ccnn1.Fc1ccccc1Cn1nc(-c2ccccn2)nc1-n1nccn1
InChIInChI=1S/C21H19FN6O2.2C16H12FN7/c22-17-4-2-1-3-15(17)12-28-21(19-13-30-14-24-19)25-20(26-28)18-11-16(5-6-23-18)27-7-9-29-10-8-27;17-13-6-2-1-5-12(13)11-24-16(23-10-9-19-22-23)20-15(21-24)14-7-3-4-8-18-14;17-13-6-2-1-5-12(13)11-23-16(24-19-9-10-20-24)21-15(22-23)14-7-3-4-8-18-14/h1-6,11,13-14H,7-10,12H2;2*1-10H,11H2
InChIKeyVOOYOOYLEGLBES-UHFFFAOYSA-N
MW1049.06 g/mol
LogP7.24
Rot. Bonds13

About 4-[2-[1-[(2-fluorophenyl)methyl]-5-(1,3-oxazol-4-yl)-1,2,4-triazol-3-yl]-4-pyridinyl]morpholine;2-[1-[(2-fluorophenyl)methyl]-5-(triazol-1-yl)-1,2,4-triazol-3-yl]pyridine;2-[1-[(2-fluorophenyl)methyl]-5-(triazol-2-yl)-1,2,4-triazol-3-yl]pyridine

4-[2-[1-[(2-fluorophenyl)methyl]-5-(1,3-oxazol-4-yl)-1,2,4-triazol-3-yl]-4-pyridinyl]morpholine;2-[1-[(2-fluorophenyl)methyl]-5-(triazol-1-yl)-1,2,4-triazol-3-yl]pyridine;2-[1-[(2-fluorophenyl)methyl]-5-(triazol-2-yl)-1,2,4-triazol-3-yl]pyridine (PubChem CID 161356270) has the molecular formula C53H43F3N20O2 and a molecular weight of 1049.06 g/mol. Its IUPAC name is 4-[2-[1-[(2-fluorophenyl)methyl]-5-(1,3-oxazol-4-yl)-1,2,4-triazol-3-yl]-4-pyridinyl]morpholine;2-[1-[(2-fluorophenyl)methyl]-5-(triazol-1-yl)-1,2,4-triazol-3-yl]pyridine;2-[1-[(2-fluorophenyl)methyl]-5-(triazol-2-yl)-1,2,4-triazol-3-yl]pyridine.

Molecular Properties

Compound Name4-[2-[1-[(2-fluorophenyl)methyl]-5-(1,3-oxazol-4-yl)-1,2,4-triazol-3-yl]-4-pyridinyl]morpholine;2-[1-[(2-fluorophenyl)methyl]-5-(triazol-1-yl)-1,2,4-triazol-3-yl]pyridine;2-[1-[(2-fluorophenyl)methyl]-5-(triazol-2-yl)-1,2,4-triazol-3-yl]pyridine
PubChem CID161356270
Molecular FormulaC53H43F3N20O2
Molecular Weight1049.06 g/mol
Exact Mass1048.38
IUPAC Name4-[2-[1-[(2-fluorophenyl)methyl]-5-(1,3-oxazol-4-yl)-1,2,4-triazol-3-yl]-4-pyridinyl]morpholine;2-[1-[(2-fluorophenyl)methyl]-5-(triazol-1-yl)-1,2,4-triazol-3-yl]pyridine;2-[1-[(2-fluorophenyl)methyl]-5-(triazol-2-yl)-1,2,4-triazol-3-yl]pyridine
SMILESFc1ccccc1Cn1nc(-c2cc(N3CCOCC3)ccn2)nc1-c1cocn1.Fc1ccccc1Cn1nc(-c2ccccn2)nc1-n1ccnn1.Fc1ccccc1Cn1nc(-c2ccccn2)nc1-n1nccn1
InChIInChI=1S/C21H19FN6O2.2C16H12FN7/c22-17-4-2-1-3-15(17)12-28-21(19-13-30-14-24-19)25-20(26-28)18-11-16(5-6-23-18)27-7-9-29-10-8-27;17-13-6-2-1-5-12(13)11-24-16(23-10-9-19-22-23)20-15(21-24)14-7-3-4-8-18-14;17-13-6-2-1-5-12(13)11-23-16(24-19-9-10-20-24)21-15(22-23)14-7-3-4-8-18-14/h1-6,11,13-14H,7-10,12H2;2*1-10H,11H2
InChIKeyVOOYOOYLEGLBES-UHFFFAOYSA-N
XLogP7.24
TPSA230.72 Ų
H-Bond Donors
H-Bond Acceptors22
Rotatable Bonds13
Heavy Atoms78
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001049.06
LogP ≤ 57.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1022

Analyze 4-[2-[1-[(2-fluorophenyl)methyl]-5-(1,3-oxazol-4-yl)-1,2,4-triazol-3-yl]-4-pyridinyl]morpholine;2-[1-[(2-fluorophenyl)methyl]-5-(triazol-1-yl)-1,2,4-triazol-3-yl]pyridine;2-[1-[(2-fluorophenyl)methyl]-5-(triazol-2-yl)-1,2,4-triazol-3-yl]pyridine with MolForge

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Launch Full Analysis

Related Compounds

4-(2-(1-(2-fluorobenzyl)-5-(oxazol-4-yl)-1H-1,2,4-triazol-3-yl)pyridin-4-yl)morpholine
CID 69093714
6-[3-(4-fluorophenyl)-1-methyl-5-[1-(1,3-oxazol-4-ylmethyl)piperidin-4-yl]pyrazol-4-yl]-N-methylimidazo[1,2-b]pyridazin-2-amine
CID 126607529
bis(1-(2-fluorophenyl)-N-methylmethanamine);1-(4-fluorophenyl)-N-methylmethanamine;2-methyl-5-propyl-1,3-oxazole;4-methyl-2-propyl-1,3-oxazole;5-methyl-2-propyl-1,3-oxazole;1-methyl-2-propylpyrrole;N-methyl-1-pyrazin-2-ylmethanamine;N-methyl-1-pyrimidin-2-ylmethanamine;N-methyl-1-pyrimidin-4-ylmethanamine;2-propyl-1,3-oxazole;5-propyl-1,3-oxazole
CID 157238579
1-[3-[6-[4-[2-[3,5-Bis(4-fluorophenyl)-1,2,4-triazol-1-yl]acetyl]piperazin-1-yl]pyrimidin-4-yl]propyl]imidazolidin-2-one;2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]-1-[4-[6-(2-imidazol-1-ylethoxy)pyrimidin-4-yl]piperazin-1-yl]ethanone;2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]-1-[4-[6-(3-morpholin-4-ylpropoxy)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 157409678
2-[3-(5-Fluoro-4-methyl-2-pyridinyl)-5-phenylpyrazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl)ethanone;2-[3-(5-fluoro-4-methyl-2-pyridinyl)-5-phenylpyrazol-1-yl]-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperazin-1-yl]ethanone;2-[3-(5-fluoro-4-methyl-2-pyridinyl)-5-phenylpyrazol-1-yl]-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]ethanone;2-[3-(5-fluoro-6-methyl-2-pyridinyl)-5-phenylpyrazol-1-yl]-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]ethanone
CID 157762125
1-tert-butyl-2-cyclopropylimidazole;2-tert-butyl-1,5-dimethylimidazole;2-tert-butyl-N,N-dimethylpyrimidin-5-amine;1-tert-butyl-2-ethylimidazole;2-tert-butyl-3-fluoropyridine;2-tert-butyl-5-fluoropyridine;bis(1-tert-butylimidazole);1-tert-butyl-2-isocyanopyrrole;5-tert-butyl-2-methoxypyrimidine;2-tert-butyl-1-methylimidazole;5-tert-butyl-1-methylimidazole;bis(2-tert-butyl-6-methylpyridine);5-tert-butyl-2-methylpyridine;2-tert-butyl-4-methylpyrimidine;5-tert-butyl-2-methylpyrimidine;1-tert-butyl-2-methylpyrrole;2-tert-butyl-1,3-oxazole;2-tert-butylpyrazine;3-tert-butylpyridazine;4-tert-butylpyridazine;2-tert-butylpyridine;2-tert-butylpyrimidine;5-tert-butylpyrimidine;1-tert-butyl-1,2,4-triazole;methane
CID 157827251
2-Tert-butyl-5-fluoropyrimidine;1-tert-butylimidazole;4-tert-butyl-2-methyltriazole;2-tert-butyl-1,3-oxazole;2-tert-butylpyrazine;1-tert-butylpyrazole;3-tert-butylpyridazine;4-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;1-tert-butylpyrrole;1-tert-butyltetrazole;2-tert-butyl-1,3,5-triazine;1-tert-butyltriazole;1-tert-butyl-1,2,4-triazole;2-tert-butyltriazole;4-tert-butyl-1,2,4-triazole;1-methylpyrazole
CID 158251384
Bis(3,5-dimethyl-1,2,4-oxadiazole);2,4-dimethyl-1,3-oxazole;2,6-dimethylpyrazine;bis(1,3-dimethylpyrazole);bis(1,4-dimethylpyrazole);2,6-dimethylpyridine;bis(2,4-dimethylpyrimidine);2,4-dimethyl-1,3,5-triazine;bis(1,3-dimethyl-1,2,4-triazole)
CID 158602735
4-[1-[(2-Fluorophenyl)methyl]-5-pyrimidin-2-yl-1,2,4-triazol-3-yl]-1,3-oxazole;4-[2-[(2-fluorophenyl)methyl]-5-pyrimidin-2-yl-1,2,4-triazol-3-yl]-1,3-oxazole;2-[2-[(2-fluorophenyl)methyl]-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]pyridin-4-amine;2-[1-[(2-fluorophenyl)methyl]-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]pyrimidin-4-amine
CID 158866546
Bis(3,5-dimethyl-1,2,4-oxadiazole);2,4-dimethyl-1,3-oxazole;2,6-dimethylpyrazine;bis(1,3-dimethylpyrazole);bis(1,4-dimethylpyrazole);2,6-dimethylpyridine;2,4-dimethylpyrimidine;bis(1,3-dimethyl-1,2,4-triazole)
CID 160356721
2-[5-Ethyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]-1-[4-(4-methyl-1,3-oxazol-2-yl)piperazin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-methylpyrazol-1-yl]-1-[4-(4-methyl-1,3-oxazol-2-yl)piperazin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-phenylpyrazol-1-yl]-1-[4-(4-methyl-1,3-oxazol-2-yl)piperazin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-propylpyrazol-1-yl]-1-[4-(4-methyl-1,3-oxazol-2-yl)piperazin-1-yl]ethanone
CID 160692379
2,6-bis[(3,5-dimethylpyrazol-1-yl)methyl]pyridine;2,6-bis[[3,5-di(propan-2-yl)pyrazol-1-yl]methyl]pyridine;2,6-bis(6-methyl-2-pyridinyl)pyridine;2,6-bis(pyrazol-1-ylmethyl)pyridine;2,6-bis(pyridin-2-ylmethyl)pyridine;1-[2-[(dimethylamino)methyl]-1H-imidazol-5-yl]-N,N-dimethylmethanamine;1-[2-[(dimethylamino)methyl]-1-methylimidazol-4-yl]-N,N-dimethylmethanamine;1-[2-[(dimethylamino)methyl]-1,3-oxazol-4-yl]-N,N-dimethylmethanamine;2,6-dipyridin-2-ylpyridine
CID 160873295

Frequently Asked Questions

What is the IUPAC name of 4-[2-[1-[(2-fluorophenyl)methyl]-5-(1,3-oxazol-4-yl)-1,2,4-triazol-3-yl]-4-pyridinyl]morpholine;2-[1-[(2-fluorophenyl)methyl]-5-(triazol-1-yl)-1,2,4-triazol-3-yl]pyridine;2-[1-[(2-fluorophenyl)methyl]-5-(triazol-2-yl)-1,2,4-triazol-3-yl]pyridine?
The IUPAC name of 4-[2-[1-[(2-fluorophenyl)methyl]-5-(1,3-oxazol-4-yl)-1,2,4-triazol-3-yl]-4-pyridinyl]morpholine;2-[1-[(2-fluorophenyl)methyl]-5-(triazol-1-yl)-1,2,4-triazol-3-yl]pyridine;2-[1-[(2-fluorophenyl)methyl]-5-(triazol-2-yl)-1,2,4-triazol-3-yl]pyridine (CID 161356270) is 4-[2-[1-[(2-fluorophenyl)methyl]-5-(1,3-oxazol-4-yl)-1,2,4-triazol-3-yl]-4-pyridinyl]morpholine;2-[1-[(2-fluorophenyl)methyl]-5-(triazol-1-yl)-1,2,4-triazol-3-yl]pyridine;2-[1-[(2-fluorophenyl)methyl]-5-(triazol-2-yl)-1,2,4-triazol-3-yl]pyridine.
What is the SMILES notation for 4-[2-[1-[(2-fluorophenyl)methyl]-5-(1,3-oxazol-4-yl)-1,2,4-triazol-3-yl]-4-pyridinyl]morpholine;2-[1-[(2-fluorophenyl)methyl]-5-(triazol-1-yl)-1,2,4-triazol-3-yl]pyridine;2-[1-[(2-fluorophenyl)methyl]-5-(triazol-2-yl)-1,2,4-triazol-3-yl]pyridine?
The canonical SMILES for 4-[2-[1-[(2-fluorophenyl)methyl]-5-(1,3-oxazol-4-yl)-1,2,4-triazol-3-yl]-4-pyridinyl]morpholine;2-[1-[(2-fluorophenyl)methyl]-5-(triazol-1-yl)-1,2,4-triazol-3-yl]pyridine;2-[1-[(2-fluorophenyl)methyl]-5-(triazol-2-yl)-1,2,4-triazol-3-yl]pyridine is Fc1ccccc1Cn1nc(-c2cc(N3CCOCC3)ccn2)nc1-c1cocn1.Fc1ccccc1Cn1nc(-c2ccccn2)nc1-n1ccnn1.Fc1ccccc1Cn1nc(-c2ccccn2)nc1-n1nccn1.
What is the InChIKey of 4-[2-[1-[(2-fluorophenyl)methyl]-5-(1,3-oxazol-4-yl)-1,2,4-triazol-3-yl]-4-pyridinyl]morpholine;2-[1-[(2-fluorophenyl)methyl]-5-(triazol-1-yl)-1,2,4-triazol-3-yl]pyridine;2-[1-[(2-fluorophenyl)methyl]-5-(triazol-2-yl)-1,2,4-triazol-3-yl]pyridine?
The InChIKey is VOOYOOYLEGLBES-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN6O2.2C16H12FN7/c22-17-4-2-1-3-15(17)12-28-21(19-13-30-14-24-19)25-20(26-28)18-11-16(5-6-23-18)27-7-9-29-10-8-27;17-13-6-2-1-5-12(13)11-24-16(23-10-9-19-22-23)20-15(21-24)14-7-3-4-8-18-14;17-13-6-2-1-5-12(13)11-23-16(24-19-9-10-20-24)21-15(22-23)14-7-3-4-8-18-14/h1-6,11,13-14H,7-10,12H2;2*1-10H,11H2.
What are the key properties of 4-[2-[1-[(2-fluorophenyl)methyl]-5-(1,3-oxazol-4-yl)-1,2,4-triazol-3-yl]-4-pyridinyl]morpholine;2-[1-[(2-fluorophenyl)methyl]-5-(triazol-1-yl)-1,2,4-triazol-3-yl]pyridine;2-[1-[(2-fluorophenyl)methyl]-5-(triazol-2-yl)-1,2,4-triazol-3-yl]pyridine?
4-[2-[1-[(2-fluorophenyl)methyl]-5-(1,3-oxazol-4-yl)-1,2,4-triazol-3-yl]-4-pyridinyl]morpholine;2-[1-[(2-fluorophenyl)methyl]-5-(triazol-1-yl)-1,2,4-triazol-3-yl]pyridine;2-[1-[(2-fluorophenyl)methyl]-5-(triazol-2-yl)-1,2,4-triazol-3-yl]pyridine has a molecular weight of 1049.06 g/mol, XLogP of 7.24, 13 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[1-[(2-fluorophenyl)methyl]-5-(1,3-oxazol-4-yl)-1,2,4-triazol-3-yl]-4-pyridinyl]morpholine;2-[1-[(2-fluorophenyl)methyl]-5-(triazol-1-yl)-1,2,4-triazol-3-yl]pyridine;2-[1-[(2-fluorophenyl)methyl]-5-(triazol-2-yl)-1,2,4-triazol-3-yl]pyridine is sourced from PubChem (CID 161356270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).