2-[1-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]-1,3-oxazole;2-[2-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]-1,3-oxazole;4-[1-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]-1,3-thiazole;2-[1-[(2-fluorophenyl)methyl]-5-pyrimidin-2-yl-1,2,4-triazol-3-yl]-1,3-oxazole

C67H47F4N21O3S — CID 158910717

IUPAC2-[1-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]-1,3-oxazole;2-[2-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]-1,3-oxazole;4-[1-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]-1,3-thiazole;2-[1-[(2-fluorophenyl)methyl]-5-pyrimidin-2-yl-1,2,4-triazol-3-yl]-1,3-oxazole
SMILESFc1ccccc1Cn1nc(-c2ccccn2)nc1-c1ncco1.Fc1ccccc1Cn1nc(-c2cscn2)nc1-c1ccccn1.Fc1ccccc1Cn1nc(-c2ncco2)nc1-c1ccccn1.Fc1ccccc1Cn1nc(-c2ncco2)nc1-c1ncccn1
InChIInChI=1S/2C17H12FN5O.C17H12FN5S.C16H11FN6O/c18-13-6-2-1-5-12(13)11-23-16(14-7-3-4-8-19-14)21-15(22-23)17-20-9-10-24-17;18-13-6-2-1-5-12(13)11-23-16(17-20-9-10-24-17)21-15(22-23)14-7-3-4-8-19-14;18-13-6-2-1-5-12(13)9-23-17(14-7-3-4-8-19-14)21-16(22-23)15-10-24-11-20-15;17-12-5-2-1-4-11(12)10-23-15(13-18-6-3-7-19-13)21-14(22-23)16-20-8-9-24-16/h2*1-10H,11H2;1-8,10-11H,9H2;1-9H,10H2
InChIKeyJGPLSFYFBPWKCC-UHFFFAOYSA-N
MW1302.32 g/mol
LogP12.59
Rot. Bonds16

About 2-[1-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]-1,3-oxazole;2-[2-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]-1,3-oxazole;4-[1-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]-1,3-thiazole;2-[1-[(2-fluorophenyl)methyl]-5-pyrimidin-2-yl-1,2,4-triazol-3-yl]-1,3-oxazole

2-[1-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]-1,3-oxazole;2-[2-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]-1,3-oxazole;4-[1-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]-1,3-thiazole;2-[1-[(2-fluorophenyl)methyl]-5-pyrimidin-2-yl-1,2,4-triazol-3-yl]-1,3-oxazole (PubChem CID 158910717) has the molecular formula C67H47F4N21O3S and a molecular weight of 1302.32 g/mol. Its IUPAC name is 2-[1-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]-1,3-oxazole;2-[2-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]-1,3-oxazole;4-[1-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]-1,3-thiazole;2-[1-[(2-fluorophenyl)methyl]-5-pyrimidin-2-yl-1,2,4-triazol-3-yl]-1,3-oxazole.

Molecular Properties

Compound Name2-[1-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]-1,3-oxazole;2-[2-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]-1,3-oxazole;4-[1-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]-1,3-thiazole;2-[1-[(2-fluorophenyl)methyl]-5-pyrimidin-2-yl-1,2,4-triazol-3-yl]-1,3-oxazole
PubChem CID158910717
Molecular FormulaC67H47F4N21O3S
Molecular Weight1302.32 g/mol
Exact Mass1301.38
IUPAC Name2-[1-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]-1,3-oxazole;2-[2-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]-1,3-oxazole;4-[1-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]-1,3-thiazole;2-[1-[(2-fluorophenyl)methyl]-5-pyrimidin-2-yl-1,2,4-triazol-3-yl]-1,3-oxazole
SMILESFc1ccccc1Cn1nc(-c2ccccn2)nc1-c1ncco1.Fc1ccccc1Cn1nc(-c2cscn2)nc1-c1ccccn1.Fc1ccccc1Cn1nc(-c2ncco2)nc1-c1ccccn1.Fc1ccccc1Cn1nc(-c2ncco2)nc1-c1ncccn1
InChIInChI=1S/2C17H12FN5O.C17H12FN5S.C16H11FN6O/c18-13-6-2-1-5-12(13)11-23-16(14-7-3-4-8-19-14)21-15(22-23)17-20-9-10-24-17;18-13-6-2-1-5-12(13)11-23-16(17-20-9-10-24-17)21-15(22-23)14-7-3-4-8-19-14;18-13-6-2-1-5-12(13)9-23-17(14-7-3-4-8-19-14)21-16(22-23)15-10-24-11-20-15;17-12-5-2-1-4-11(12)10-23-15(13-18-6-3-7-19-13)21-14(22-23)16-20-8-9-24-16/h2*1-10H,11H2;1-8,10-11H,9H2;1-9H,10H2
InChIKeyJGPLSFYFBPWKCC-UHFFFAOYSA-N
XLogP12.59
TPSA278.27 Ų
H-Bond Donors
H-Bond Acceptors25
Rotatable Bonds16
Heavy Atoms96
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001302.32
LogP ≤ 512.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1025

Analyze 2-[1-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]-1,3-oxazole;2-[2-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]-1,3-oxazole;4-[1-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]-1,3-thiazole;2-[1-[(2-fluorophenyl)methyl]-5-pyrimidin-2-yl-1,2,4-triazol-3-yl]-1,3-oxazole 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

CID 161280549
CID 161280549
cumene;methane;2-methyl-5-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;2-propan-2-yl-1H-imidazole;bis(2-propan-2-yl-1,3-oxazole);2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;5-propan-2-yl-2H-pyrrole;2-propan-2-yl-4-(trifluoromethyl)-1,3-thiazole
CID 161987398
2-(2,6-difluorophenyl)-5-(2-ethyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)-1H-pyrrolo[2,3-b]pyridine;2-[4-[2-(2,6-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-methyl-1,3-thiazol-2-yl]-1,3-oxazole
CID 89650992
1,1-Dideuterioethylbenzene;2-(1,1-dideuterioethyl)-4,6-diphenylpyrimidine;4-(1,1-dideuterioethyl)-2,6-diphenylpyrimidine;2-(1,1-dideuterioethyl)pyrazine;2-(1,1-dideuterioethyl)pyridine;3-(1,1-dideuterioethyl)pyridine;4-(1,1-dideuterioethyl)pyridine;2-(1,1-dideuterioethyl)pyrimidine;4-(1,1-dideuterioethyl)pyrimidine;2-(1,1-dideuterioethyl)-1,3,4-thiadiazole;5-(1,1-dideuterioethyl)-1,2,4-thiadiazole;2-(1,1-dideuterioethyl)-1,3,5-triazine;4-(1,1-dideuterioethyl)-2,5,6-triphenylpyrimidine;4-ethyl-1,3-oxazole;3-ethyl-1,2,4-thiadiazole;4-ethyl-1,3-thiazole
CID 157175113
Bis(2-methyl-1,3-oxazole);bis(1-methylpyrazole);2-methylpyridine;2-methylpyrimidine;2-methyl-1,3-thiazole
CID 157293237
2,2-Dimethylpropylbenzene;4-(2,2-dimethylpropyl)-1,2-difluorobenzene;1-(2,2-dimethylpropyl)-4-fluorobenzene;2-(2,2-dimethylpropyl)-3-fluoropyridine;3-(2,2-dimethylpropyl)-5-fluoropyridine;2-(2,2-dimethylpropyl)-6-methylpyrazine;2-(2,2-dimethylpropyl)-6-methylpyridine;3-(2,2-dimethylpropyl)-2-methylpyridine;2-(2,2-dimethylpropyl)-1,3-oxazole;2-(2,2-dimethylpropyl)pyrazine;3-(2,2-dimethylpropyl)pyridazine;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine;2-(2,2-dimethylpropyl)pyrimidine;4-(2,2-dimethylpropyl)pyrimidine;5-(2,2-dimethylpropyl)-1,3-thiazole
CID 157566330
Tert-butylbenzene;2-tert-butyl-1,3-oxazole;2-tert-butylpyrazine;3-tert-butylpyridazine;4-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;2-tert-butyl-1,3-thiazole;ethane
CID 157698182
Bis(3,5-dimethyl-1,2,4-oxadiazole);bis(2,4-dimethyl-1,3-oxazole);bis(1,3-dimethylpyrazole);bis(1,4-dimethylpyrazole);2,5-dimethylpyridine;2,6-dimethylpyridine;2,4-dimethylpyrimidine;2,5-dimethylpyrimidine;bis(2,4-dimethyl-1,3-thiazole);bis(1,3-dimethyl-1,2,4-triazole)
CID 157992190
methane;1-propan-2-ylimidazolidin-2-one;2-propan-2-yl-1,3-oxazole;bis(1-propan-2-ylpyrazole);3-propan-2-yl-4H-pyrazole;bis(2-propan-2-ylpyridine);2-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrimidin-6-one;(2-propan-2-yl-3H-pyrrol-5-yl)methanamine;2-propan-2-yl-1,3-thiazole
CID 158148765
2,2-dimethylpropylbenzene;4-(2,2-dimethylpropyl)-1,2-difluorobenzene;2-(2,2-dimethylpropyl)-3-fluoropyridine;3-(2,2-dimethylpropyl)-5-fluoropyridine;2-(2,2-dimethylpropyl)-6-methylpyrazine;3-(2,2-dimethylpropyl)-1-methylpyrazole;bis(3-(2,2-dimethylpropyl)-5-methyl-1H-pyrazole);5-(2,2-dimethylpropyl)-2-methyl-1,3-thiazole;3-(2,2-dimethylpropyl)-5-methyl-1H-1,2,4-triazole;2-(2,2-dimethylpropyl)-1,3-oxazole;4-(2,2-dimethylpropyl)-1,3-oxazole;5-(2,2-dimethylpropyl)-2-propan-2-yl-1,3-thiazole;5-(2,2-dimethylpropyl)-1H-pyrazole;3-(2,2-dimethylpropyl)pyridazine;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine;2-(2,2-dimethylpropyl)pyrimidine;4-(2,2-dimethylpropyl)pyrimidine;2-(2,2-dimethylpropyl)-1,3-thiazole;5-(2,2-dimethylpropyl)-1,3-thiazole;methane
CID 158333279
1-Methylimidazole;2-methyl-1,3,4-oxadiazole;3-methyl-1,2,4-oxadiazole;2-methyl-1,3-oxazole;1-methylpyrazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;1-methylpyrrole;2-methyl-1,3,4-thiadiazole;2-methyl-1,3-thiazole;1-methyltriazole;1-methyl-1,2,4-triazole
CID 158467543
ethane;2-methyl-1,3-oxazole;5-methyl-1,3-oxazole;5-methyl-1H-pyrazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;5-methylpyrimidine;2-methyl-1,3-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;toluene
CID 158521689

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]-1,3-oxazole;2-[2-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]-1,3-oxazole;4-[1-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]-1,3-thiazole;2-[1-[(2-fluorophenyl)methyl]-5-pyrimidin-2-yl-1,2,4-triazol-3-yl]-1,3-oxazole?
The IUPAC name of 2-[1-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]-1,3-oxazole;2-[2-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]-1,3-oxazole;4-[1-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]-1,3-thiazole;2-[1-[(2-fluorophenyl)methyl]-5-pyrimidin-2-yl-1,2,4-triazol-3-yl]-1,3-oxazole (CID 158910717) is 2-[1-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]-1,3-oxazole;2-[2-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]-1,3-oxazole;4-[1-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]-1,3-thiazole;2-[1-[(2-fluorophenyl)methyl]-5-pyrimidin-2-yl-1,2,4-triazol-3-yl]-1,3-oxazole.
What is the SMILES notation for 2-[1-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]-1,3-oxazole;2-[2-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]-1,3-oxazole;4-[1-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]-1,3-thiazole;2-[1-[(2-fluorophenyl)methyl]-5-pyrimidin-2-yl-1,2,4-triazol-3-yl]-1,3-oxazole?
The canonical SMILES for 2-[1-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]-1,3-oxazole;2-[2-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]-1,3-oxazole;4-[1-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]-1,3-thiazole;2-[1-[(2-fluorophenyl)methyl]-5-pyrimidin-2-yl-1,2,4-triazol-3-yl]-1,3-oxazole is Fc1ccccc1Cn1nc(-c2ccccn2)nc1-c1ncco1.Fc1ccccc1Cn1nc(-c2cscn2)nc1-c1ccccn1.Fc1ccccc1Cn1nc(-c2ncco2)nc1-c1ccccn1.Fc1ccccc1Cn1nc(-c2ncco2)nc1-c1ncccn1.
What is the InChIKey of 2-[1-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]-1,3-oxazole;2-[2-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]-1,3-oxazole;4-[1-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]-1,3-thiazole;2-[1-[(2-fluorophenyl)methyl]-5-pyrimidin-2-yl-1,2,4-triazol-3-yl]-1,3-oxazole?
The InChIKey is JGPLSFYFBPWKCC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C17H12FN5O.C17H12FN5S.C16H11FN6O/c18-13-6-2-1-5-12(13)11-23-16(14-7-3-4-8-19-14)21-15(22-23)17-20-9-10-24-17;18-13-6-2-1-5-12(13)11-23-16(17-20-9-10-24-17)21-15(22-23)14-7-3-4-8-19-14;18-13-6-2-1-5-12(13)9-23-17(14-7-3-4-8-19-14)21-16(22-23)15-10-24-11-20-15;17-12-5-2-1-4-11(12)10-23-15(13-18-6-3-7-19-13)21-14(22-23)16-20-8-9-24-16/h2*1-10H,11H2;1-8,10-11H,9H2;1-9H,10H2.
What are the key properties of 2-[1-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]-1,3-oxazole;2-[2-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]-1,3-oxazole;4-[1-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]-1,3-thiazole;2-[1-[(2-fluorophenyl)methyl]-5-pyrimidin-2-yl-1,2,4-triazol-3-yl]-1,3-oxazole?
2-[1-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]-1,3-oxazole;2-[2-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]-1,3-oxazole;4-[1-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]-1,3-thiazole;2-[1-[(2-fluorophenyl)methyl]-5-pyrimidin-2-yl-1,2,4-triazol-3-yl]-1,3-oxazole has a molecular weight of 1302.32 g/mol, XLogP of 12.59, 16 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]-1,3-oxazole;2-[2-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]-1,3-oxazole;4-[1-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]-1,3-thiazole;2-[1-[(2-fluorophenyl)methyl]-5-pyrimidin-2-yl-1,2,4-triazol-3-yl]-1,3-oxazole is sourced from PubChem (CID 158910717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).