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

C71H55F4N23O4S3 — CID 159296953

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

2-[1-[(2-fluorophenyl)methyl]-5-(1,3-oxazol-4-yl)-1,2,4-triazol-3-yl]pyridin-4-amine;4-[2-[(2-fluorophenyl)methyl]-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]-1,3-oxazole;2-[1-[(2-fluorophenyl)methyl]-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]pyridine-4-carboxamide;4-[2-[1-[(2-fluorophenyl)methyl]-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]-4-pyridinyl]morpholine (PubChem CID 159296953) has the molecular formula C71H55F4N23O4S3 and a molecular weight of 1466.57 g/mol. Its IUPAC name is 2-[1-[(2-fluorophenyl)methyl]-5-(1,3-oxazol-4-yl)-1,2,4-triazol-3-yl]pyridin-4-amine;4-[2-[(2-fluorophenyl)methyl]-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]-1,3-oxazole;2-[1-[(2-fluorophenyl)methyl]-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]pyridine-4-carboxamide;4-[2-[1-[(2-fluorophenyl)methyl]-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]-4-pyridinyl]morpholine.

Molecular Properties

• Compound Name: 2-[1-[(2-fluorophenyl)methyl]-5-(1,3-oxazol-4-yl)-1,2,4-triazol-3-yl]pyridin-4-amine;4-[2-[(2-fluorophenyl)methyl]-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]-1,3-oxazole;2-[1-[(2-fluorophenyl)methyl]-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]pyridine-4-carboxamide;4-[2-[1-[(2-fluorophenyl)methyl]-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]-4-pyridinyl]morpholine
• PubChem CID: 159296953
• Molecular Formula: C71H55F4N23O4S3
• Molecular Weight: 1466.57 g/mol
• Exact Mass: 1465.39
• IUPAC Name: 2-[1-[(2-fluorophenyl)methyl]-5-(1,3-oxazol-4-yl)-1,2,4-triazol-3-yl]pyridin-4-amine;4-[2-[(2-fluorophenyl)methyl]-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]-1,3-oxazole;2-[1-[(2-fluorophenyl)methyl]-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]pyridine-4-carboxamide;4-[2-[1-[(2-fluorophenyl)methyl]-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]-4-pyridinyl]morpholine
• SMILES: Fc1ccccc1Cn1nc(-c2cc(N3CCOCC3)ccn2)nc1-c1nccs1.Fc1ccccc1Cn1nc(-c2nccs2)nc1-c1cocn1.NC(=O)c1ccnc(-c2nc(-c3nccs3)n(Cc3ccccc3F)n2)c1.Nc1ccnc(-c2nc(-c3cocn3)n(Cc3ccccc3F)n2)c1
• InChI: InChI=1S/C21H19FN6OS.C18H13FN6OS.C17H13FN6O.C15H10FN5OS/c22-17-4-2-1-3-15(17)14-28-20(21-24-7-12-30-21)25-19(26-28)18-13-16(5-6-23-18)27-8-10-29-11-9-27;19-13-4-2-1-3-12(13)10-25-17(18-22-7-8-27-18)23-16(24-25)14-9-11(15(20)26)5-6-21-14;18-13-4-2-1-3-11(13)8-24-17(15-9-25-10-21-15)22-16(23-24)14-7-12(19)5-6-20-14;16-11-4-2-1-3-10(11)7-21-14(12-8-22-9-18-12)19-13(20-21)15-17-5-6-23-15/h1-7,12-13H,8-11,14H2;1-9H,10H2,(H2,20,26);1-7,9-10H,8H2,(H2,19,20);1-6,8-9H,7H2
• InChIKey: LAVPVORTHZQVOL-UHFFFAOYSA-N
• XLogP: 12.25
• TPSA: 333.82 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 29
• Rotatable Bonds: 18
• Heavy Atoms: 105
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1466.57
LogP ≤ 5	12.25
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	29

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-fluorophenyl)methyl]-5-(1,3-oxazol-4-yl)-1,2,4-triazol-3-yl]pyridin-4-amine;4-[2-[(2-fluorophenyl)methyl]-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]-1,3-oxazole;2-[1-[(2-fluorophenyl)methyl]-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]pyridine-4-carboxamide;4-[2-[1-[(2-fluorophenyl)methyl]-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]-4-pyridinyl]morpholine?

The IUPAC name of 2-[1-[(2-fluorophenyl)methyl]-5-(1,3-oxazol-4-yl)-1,2,4-triazol-3-yl]pyridin-4-amine;4-[2-[(2-fluorophenyl)methyl]-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]-1,3-oxazole;2-[1-[(2-fluorophenyl)methyl]-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]pyridine-4-carboxamide;4-[2-[1-[(2-fluorophenyl)methyl]-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]-4-pyridinyl]morpholine (CID 159296953) is 2-[1-[(2-fluorophenyl)methyl]-5-(1,3-oxazol-4-yl)-1,2,4-triazol-3-yl]pyridin-4-amine;4-[2-[(2-fluorophenyl)methyl]-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]-1,3-oxazole;2-[1-[(2-fluorophenyl)methyl]-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]pyridine-4-carboxamide;4-[2-[1-[(2-fluorophenyl)methyl]-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]-4-pyridinyl]morpholine.

What is the SMILES notation for 2-[1-[(2-fluorophenyl)methyl]-5-(1,3-oxazol-4-yl)-1,2,4-triazol-3-yl]pyridin-4-amine;4-[2-[(2-fluorophenyl)methyl]-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]-1,3-oxazole;2-[1-[(2-fluorophenyl)methyl]-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]pyridine-4-carboxamide;4-[2-[1-[(2-fluorophenyl)methyl]-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]-4-pyridinyl]morpholine?

The canonical SMILES for 2-[1-[(2-fluorophenyl)methyl]-5-(1,3-oxazol-4-yl)-1,2,4-triazol-3-yl]pyridin-4-amine;4-[2-[(2-fluorophenyl)methyl]-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]-1,3-oxazole;2-[1-[(2-fluorophenyl)methyl]-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]pyridine-4-carboxamide;4-[2-[1-[(2-fluorophenyl)methyl]-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]-4-pyridinyl]morpholine is Fc1ccccc1Cn1nc(-c2cc(N3CCOCC3)ccn2)nc1-c1nccs1.Fc1ccccc1Cn1nc(-c2nccs2)nc1-c1cocn1.NC(=O)c1ccnc(-c2nc(-c3nccs3)n(Cc3ccccc3F)n2)c1.Nc1ccnc(-c2nc(-c3cocn3)n(Cc3ccccc3F)n2)c1.

What is the InChIKey of 2-[1-[(2-fluorophenyl)methyl]-5-(1,3-oxazol-4-yl)-1,2,4-triazol-3-yl]pyridin-4-amine;4-[2-[(2-fluorophenyl)methyl]-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]-1,3-oxazole;2-[1-[(2-fluorophenyl)methyl]-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]pyridine-4-carboxamide;4-[2-[1-[(2-fluorophenyl)methyl]-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]-4-pyridinyl]morpholine?

The InChIKey is LAVPVORTHZQVOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN6OS.C18H13FN6OS.C17H13FN6O.C15H10FN5OS/c22-17-4-2-1-3-15(17)14-28-20(21-24-7-12-30-21)25-19(26-28)18-13-16(5-6-23-18)27-8-10-29-11-9-27;19-13-4-2-1-3-12(13)10-25-17(18-22-7-8-27-18)23-16(24-25)14-9-11(15(20)26)5-6-21-14;18-13-4-2-1-3-11(13)8-24-17(15-9-25-10-21-15)22-16(23-24)14-7-12(19)5-6-20-14;16-11-4-2-1-3-10(11)7-21-14(12-8-22-9-18-12)19-13(20-21)15-17-5-6-23-15/h1-7,12-13H,8-11,14H2;1-9H,10H2,(H2,20,26);1-7,9-10H,8H2,(H2,19,20);1-6,8-9H,7H2.

What are the key properties of 2-[1-[(2-fluorophenyl)methyl]-5-(1,3-oxazol-4-yl)-1,2,4-triazol-3-yl]pyridin-4-amine;4-[2-[(2-fluorophenyl)methyl]-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]-1,3-oxazole;2-[1-[(2-fluorophenyl)methyl]-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]pyridine-4-carboxamide;4-[2-[1-[(2-fluorophenyl)methyl]-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]-4-pyridinyl]morpholine?

2-[1-[(2-fluorophenyl)methyl]-5-(1,3-oxazol-4-yl)-1,2,4-triazol-3-yl]pyridin-4-amine;4-[2-[(2-fluorophenyl)methyl]-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]-1,3-oxazole;2-[1-[(2-fluorophenyl)methyl]-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]pyridine-4-carboxamide;4-[2-[1-[(2-fluorophenyl)methyl]-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]-4-pyridinyl]morpholine has a molecular weight of 1466.57 g/mol, XLogP of 12.25, 18 rotatable bonds, 2 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-[(2-fluorophenyl)methyl]-5-(1,3-oxazol-4-yl)-1,2,4-triazol-3-yl]pyridin-4-amine;4-[2-[(2-fluorophenyl)methyl]-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]-1,3-oxazole;2-[1-[(2-fluorophenyl)methyl]-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]pyridine-4-carboxamide;4-[2-[1-[(2-fluorophenyl)methyl]-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]-4-pyridinyl]morpholine is sourced from PubChem (CID 159296953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).