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

C65H47F4N25O2S2 — CID 158866546

IUPAC4-[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
SMILESFc1ccccc1Cn1nc(-c2cocn2)nc1-c1ncccn1.Fc1ccccc1Cn1nc(-c2ncccn2)nc1-c1cocn1.Nc1ccnc(-c2nc(-c3nccs3)n(Cc3ccccc3F)n2)n1.Nc1ccnc(-c2nc(-c3nccs3)nn2Cc2ccccc2F)c1
InChIInChI=1S/C17H13FN6S.C16H12FN7S.2C16H11FN6O/c18-13-4-2-1-3-11(13)10-24-16(14-9-12(19)5-6-20-14)22-15(23-24)17-21-7-8-25-17;17-11-4-2-1-3-10(11)9-24-15(16-20-7-8-25-16)22-14(23-24)13-19-6-5-12(18)21-13;17-12-5-2-1-4-11(12)8-23-16(13-9-24-10-20-13)21-15(22-23)14-18-6-3-7-19-14;17-12-5-2-1-4-11(12)8-23-16(15-18-6-3-7-19-15)21-14(22-23)13-9-24-10-20-13/h1-9H,10H2,(H2,19,20);1-8H,9H2,(H2,18,19,21);2*1-7,9-10H,8H2
InChIKeyJBHOMVQITMYXCF-UHFFFAOYSA-N
MW1350.39 g/mol
LogP11.02
Rot. Bonds16

About 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

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 (PubChem CID 158866546) has the molecular formula C65H47F4N25O2S2 and a molecular weight of 1350.39 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-[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
PubChem CID158866546
Molecular FormulaC65H47F4N25O2S2
Molecular Weight1350.39 g/mol
Exact Mass1349.37
IUPAC Name4-[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
SMILESFc1ccccc1Cn1nc(-c2cocn2)nc1-c1ncccn1.Fc1ccccc1Cn1nc(-c2ncccn2)nc1-c1cocn1.Nc1ccnc(-c2nc(-c3nccs3)n(Cc3ccccc3F)n2)n1.Nc1ccnc(-c2nc(-c3nccs3)nn2Cc2ccccc2F)c1
InChIInChI=1S/C17H13FN6S.C16H12FN7S.2C16H11FN6O/c18-13-4-2-1-3-11(13)10-24-16(14-9-12(19)5-6-20-14)22-15(23-24)17-21-7-8-25-17;17-11-4-2-1-3-10(11)9-24-15(16-20-7-8-25-16)22-14(23-24)13-19-6-5-12(18)21-13;17-12-5-2-1-4-11(12)8-23-16(13-9-24-10-20-13)21-15(22-23)14-18-6-3-7-19-14;17-12-5-2-1-4-11(12)8-23-16(15-18-6-3-7-19-15)21-14(22-23)13-9-24-10-20-13/h1-9H,10H2,(H2,19,20);1-8H,9H2,(H2,18,19,21);2*1-7,9-10H,8H2
InChIKeyJBHOMVQITMYXCF-UHFFFAOYSA-N
XLogP11.02
TPSA342.95 Ų
H-Bond Donors2
H-Bond Acceptors29
Rotatable Bonds16
Heavy Atoms98
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001350.39
LogP ≤ 511.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1029

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Fc1ccccc1Cn1nc(-c2cocn2)nc1-c1ncccn1.Fc1ccccc1Cn1nc(-c2ncccn2)nc1-c1cocn1.Nc1ccnc(-c2nc(-c3nccs3)n(Cc3ccccc3F)n2)n1.Nc1ccnc(-c2nc(-c3nccs3)nn2Cc2ccccc2F)c1.
What is the InChIKey of 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?
The InChIKey is JBHOMVQITMYXCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN6S.C16H12FN7S.2C16H11FN6O/c18-13-4-2-1-3-11(13)10-24-16(14-9-12(19)5-6-20-14)22-15(23-24)17-21-7-8-25-17;17-11-4-2-1-3-10(11)9-24-15(16-20-7-8-25-16)22-14(23-24)13-19-6-5-12(18)21-13;17-12-5-2-1-4-11(12)8-23-16(13-9-24-10-20-13)21-15(22-23)14-18-6-3-7-19-14;17-12-5-2-1-4-11(12)8-23-16(15-18-6-3-7-19-15)21-14(22-23)13-9-24-10-20-13/h1-9H,10H2,(H2,19,20);1-8H,9H2,(H2,18,19,21);2*1-7,9-10H,8H2.
What are the key properties of 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?
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 has a molecular weight of 1350.39 g/mol, XLogP of 11.02, 16 rotatable bonds, 2 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158866546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).