bis(5-(3-fluoro-5-methylphenyl)-2-pyridin-2-yl-4,6,7,8-tetrahydro-[1,3]oxazolo[4,5-c]azepine);2-(5-fluoro-2-pyridinyl)-5-(3-methylphenyl)-4,6,7,8-tetrahydro-[1,3]oxazolo[4,5-c]azepine;5-(6-methoxy-2-pyridinyl)-2-pyridin-2-yl-4,6,7,8-tetrahydro-[1,3]oxazolo[4,5-c]azepine;tris(5-(3-methylphenyl)-2-pyridin-2-yl-4,6,7,8-tetrahydro-[1,3]oxazolo[4,5-c]azepine);5-(5-methyl-3-pyridinyl)-2-pyridin-2-yl-4,6,7,8-tetrahydro-[1,3]oxazolo[4,5-c]azepine

C150H147F3N26O9 — CID 157134143

IUPACbis(5-(3-fluoro-5-methylphenyl)-2-pyridin-2-yl-4,6,7,8-tetrahydro-[1,3]oxazolo[4,5-c]azepine);2-(5-fluoro-2-pyridinyl)-5-(3-methylphenyl)-4,6,7,8-tetrahydro-[1,3]oxazolo[4,5-c]azepine;5-(6-methoxy-2-pyridinyl)-2-pyridin-2-yl-4,6,7,8-tetrahydro-[1,3]oxazolo[4,5-c]azepine;tris(5-(3-methylphenyl)-2-pyridin-2-yl-4,6,7,8-tetrahydro-[1,3]oxazolo[4,5-c]azepine);5-(5-methyl-3-pyridinyl)-2-pyridin-2-yl-4,6,7,8-tetrahydro-[1,3]oxazolo[4,5-c]azepine
SMILESCOc1cccc(N2CCCc3oc(-c4ccccn4)nc3C2)n1.Cc1cc(F)cc(N2CCCc3oc(-c4ccccn4)nc3C2)c1.Cc1cc(F)cc(N2CCCc3oc(-c4ccccn4)nc3C2)c1.Cc1cccc(N2CCCc3oc(-c4ccc(F)cn4)nc3C2)c1.Cc1cccc(N2CCCc3oc(-c4ccccn4)nc3C2)c1.Cc1cccc(N2CCCc3oc(-c4ccccn4)nc3C2)c1.Cc1cccc(N2CCCc3oc(-c4ccccn4)nc3C2)c1.Cc1cncc(N2CCCc3oc(-c4ccccn4)nc3C2)c1
InChIInChI=1S/3C19H18FN3O.3C19H19N3O.C18H18N4O2.C18H18N4O/c1-13-4-2-5-15(10-13)23-9-3-6-18-17(12-23)22-19(24-18)16-8-7-14(20)11-21-16;2*1-13-9-14(20)11-15(10-13)23-8-4-6-18-17(12-23)22-19(24-18)16-5-2-3-7-21-16;3*1-14-6-4-7-15(12-14)22-11-5-9-18-17(13-22)21-19(23-18)16-8-2-3-10-20-16;1-23-17-9-4-8-16(21-17)22-11-5-7-15-14(12-22)20-18(24-15)13-6-2-3-10-19-13;1-13-9-14(11-19-10-13)22-8-4-6-17-16(12-22)21-18(23-17)15-5-2-3-7-20-15/h2,4-5,7-8,10-11H,3,6,9,12H2,1H3;2*2-3,5,7,9-11H,4,6,8,12H2,1H3;3*2-4,6-8,10,12H,5,9,11,13H2,1H3;2-4,6,8-10H,5,7,11-12H2,1H3;2-3,5,7,9-11H,4,6,8,12H2,1H3
InChIKeyAJKPPUWHPVUBAX-UHFFFAOYSA-N
MW2514.99 g/mol
LogP30.89
Rot. Bonds17

About bis(5-(3-fluoro-5-methylphenyl)-2-pyridin-2-yl-4,6,7,8-tetrahydro-[1,3]oxazolo[4,5-c]azepine);2-(5-fluoro-2-pyridinyl)-5-(3-methylphenyl)-4,6,7,8-tetrahydro-[1,3]oxazolo[4,5-c]azepine;5-(6-methoxy-2-pyridinyl)-2-pyridin-2-yl-4,6,7,8-tetrahydro-[1,3]oxazolo[4,5-c]azepine;tris(5-(3-methylphenyl)-2-pyridin-2-yl-4,6,7,8-tetrahydro-[1,3]oxazolo[4,5-c]azepine);5-(5-methyl-3-pyridinyl)-2-pyridin-2-yl-4,6,7,8-tetrahydro-[1,3]oxazolo[4,5-c]azepine

bis(5-(3-fluoro-5-methylphenyl)-2-pyridin-2-yl-4,6,7,8-tetrahydro-[1,3]oxazolo[4,5-c]azepine);2-(5-fluoro-2-pyridinyl)-5-(3-methylphenyl)-4,6,7,8-tetrahydro-[1,3]oxazolo[4,5-c]azepine;5-(6-methoxy-2-pyridinyl)-2-pyridin-2-yl-4,6,7,8-tetrahydro-[1,3]oxazolo[4,5-c]azepine;tris(5-(3-methylphenyl)-2-pyridin-2-yl-4,6,7,8-tetrahydro-[1,3]oxazolo[4,5-c]azepine);5-(5-methyl-3-pyridinyl)-2-pyridin-2-yl-4,6,7,8-tetrahydro-[1,3]oxazolo[4,5-c]azepine (PubChem CID 157134143) has the molecular formula C150H147F3N26O9 and a molecular weight of 2514.99 g/mol. Its IUPAC name is bis(5-(3-fluoro-5-methylphenyl)-2-pyridin-2-yl-4,6,7,8-tetrahydro-[1,3]oxazolo[4,5-c]azepine);2-(5-fluoro-2-pyridinyl)-5-(3-methylphenyl)-4,6,7,8-tetrahydro-[1,3]oxazolo[4,5-c]azepine;5-(6-methoxy-2-pyridinyl)-2-pyridin-2-yl-4,6,7,8-tetrahydro-[1,3]oxazolo[4,5-c]azepine;tris(5-(3-methylphenyl)-2-pyridin-2-yl-4,6,7,8-tetrahydro-[1,3]oxazolo[4,5-c]azepine);5-(5-methyl-3-pyridinyl)-2-pyridin-2-yl-4,6,7,8-tetrahydro-[1,3]oxazolo[4,5-c]azepine.

Molecular Properties

Compound Namebis(5-(3-fluoro-5-methylphenyl)-2-pyridin-2-yl-4,6,7,8-tetrahydro-[1,3]oxazolo[4,5-c]azepine);2-(5-fluoro-2-pyridinyl)-5-(3-methylphenyl)-4,6,7,8-tetrahydro-[1,3]oxazolo[4,5-c]azepine;5-(6-methoxy-2-pyridinyl)-2-pyridin-2-yl-4,6,7,8-tetrahydro-[1,3]oxazolo[4,5-c]azepine;tris(5-(3-methylphenyl)-2-pyridin-2-yl-4,6,7,8-tetrahydro-[1,3]oxazolo[4,5-c]azepine);5-(5-methyl-3-pyridinyl)-2-pyridin-2-yl-4,6,7,8-tetrahydro-[1,3]oxazolo[4,5-c]azepine
PubChem CID157134143
Molecular FormulaC150H147F3N26O9
Molecular Weight2514.99 g/mol
Exact Mass2513.18
IUPAC Namebis(5-(3-fluoro-5-methylphenyl)-2-pyridin-2-yl-4,6,7,8-tetrahydro-[1,3]oxazolo[4,5-c]azepine);2-(5-fluoro-2-pyridinyl)-5-(3-methylphenyl)-4,6,7,8-tetrahydro-[1,3]oxazolo[4,5-c]azepine;5-(6-methoxy-2-pyridinyl)-2-pyridin-2-yl-4,6,7,8-tetrahydro-[1,3]oxazolo[4,5-c]azepine;tris(5-(3-methylphenyl)-2-pyridin-2-yl-4,6,7,8-tetrahydro-[1,3]oxazolo[4,5-c]azepine);5-(5-methyl-3-pyridinyl)-2-pyridin-2-yl-4,6,7,8-tetrahydro-[1,3]oxazolo[4,5-c]azepine
SMILESCOc1cccc(N2CCCc3oc(-c4ccccn4)nc3C2)n1.Cc1cc(F)cc(N2CCCc3oc(-c4ccccn4)nc3C2)c1.Cc1cc(F)cc(N2CCCc3oc(-c4ccccn4)nc3C2)c1.Cc1cccc(N2CCCc3oc(-c4ccc(F)cn4)nc3C2)c1.Cc1cccc(N2CCCc3oc(-c4ccccn4)nc3C2)c1.Cc1cccc(N2CCCc3oc(-c4ccccn4)nc3C2)c1.Cc1cccc(N2CCCc3oc(-c4ccccn4)nc3C2)c1.Cc1cncc(N2CCCc3oc(-c4ccccn4)nc3C2)c1
InChIInChI=1S/3C19H18FN3O.3C19H19N3O.C18H18N4O2.C18H18N4O/c1-13-4-2-5-15(10-13)23-9-3-6-18-17(12-23)22-19(24-18)16-8-7-14(20)11-21-16;2*1-13-9-14(20)11-15(10-13)23-8-4-6-18-17(12-23)22-19(24-18)16-5-2-3-7-21-16;3*1-14-6-4-7-15(12-14)22-11-5-9-18-17(13-22)21-19(23-18)16-8-2-3-10-20-16;1-23-17-9-4-8-16(21-17)22-11-5-7-15-14(12-22)20-18(24-15)13-6-2-3-10-19-13;1-13-9-14(11-19-10-13)22-8-4-6-17-16(12-22)21-18(23-17)15-5-2-3-7-20-15/h2,4-5,7-8,10-11H,3,6,9,12H2,1H3;2*2-3,5,7,9-11H,4,6,8,12H2,1H3;3*2-4,6-8,10,12H,5,9,11,13H2,1H3;2-4,6,8-10H,5,7,11-12H2,1H3;2-3,5,7,9-11H,4,6,8,12H2,1H3
InChIKeyAJKPPUWHPVUBAX-UHFFFAOYSA-N
XLogP30.89
TPSA372.29 Ų
H-Bond Donors
H-Bond Acceptors35
Rotatable Bonds17
Heavy Atoms188
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002514.99
LogP ≤ 530.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1035

Analyze bis(5-(3-fluoro-5-methylphenyl)-2-pyridin-2-yl-4,6,7,8-tetrahydro-[1,3]oxazolo[4,5-c]azepine);2-(5-fluoro-2-pyridinyl)-5-(3-methylphenyl)-4,6,7,8-tetrahydro-[1,3]oxazolo[4,5-c]azepine;5-(6-methoxy-2-pyridinyl)-2-pyridin-2-yl-4,6,7,8-tetrahydro-[1,3]oxazolo[4,5-c]azepine;tris(5-(3-methylphenyl)-2-pyridin-2-yl-4,6,7,8-tetrahydro-[1,3]oxazolo[4,5-c]azepine);5-(5-methyl-3-pyridinyl)-2-pyridin-2-yl-4,6,7,8-tetrahydro-[1,3]oxazolo[4,5-c]azepine with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis(5-(3-fluoro-5-methylphenyl)-2-pyridin-2-yl-4,6,7,8-tetrahydro-[1,3]oxazolo[4,5-c]azepine);2-(5-fluoro-2-pyridinyl)-5-(3-methylphenyl)-4,6,7,8-tetrahydro-[1,3]oxazolo[4,5-c]azepine;5-(6-methoxy-2-pyridinyl)-2-pyridin-2-yl-4,6,7,8-tetrahydro-[1,3]oxazolo[4,5-c]azepine;tris(5-(3-methylphenyl)-2-pyridin-2-yl-4,6,7,8-tetrahydro-[1,3]oxazolo[4,5-c]azepine);5-(5-methyl-3-pyridinyl)-2-pyridin-2-yl-4,6,7,8-tetrahydro-[1,3]oxazolo[4,5-c]azepine?
The IUPAC name of bis(5-(3-fluoro-5-methylphenyl)-2-pyridin-2-yl-4,6,7,8-tetrahydro-[1,3]oxazolo[4,5-c]azepine);2-(5-fluoro-2-pyridinyl)-5-(3-methylphenyl)-4,6,7,8-tetrahydro-[1,3]oxazolo[4,5-c]azepine;5-(6-methoxy-2-pyridinyl)-2-pyridin-2-yl-4,6,7,8-tetrahydro-[1,3]oxazolo[4,5-c]azepine;tris(5-(3-methylphenyl)-2-pyridin-2-yl-4,6,7,8-tetrahydro-[1,3]oxazolo[4,5-c]azepine);5-(5-methyl-3-pyridinyl)-2-pyridin-2-yl-4,6,7,8-tetrahydro-[1,3]oxazolo[4,5-c]azepine (CID 157134143) is bis(5-(3-fluoro-5-methylphenyl)-2-pyridin-2-yl-4,6,7,8-tetrahydro-[1,3]oxazolo[4,5-c]azepine);2-(5-fluoro-2-pyridinyl)-5-(3-methylphenyl)-4,6,7,8-tetrahydro-[1,3]oxazolo[4,5-c]azepine;5-(6-methoxy-2-pyridinyl)-2-pyridin-2-yl-4,6,7,8-tetrahydro-[1,3]oxazolo[4,5-c]azepine;tris(5-(3-methylphenyl)-2-pyridin-2-yl-4,6,7,8-tetrahydro-[1,3]oxazolo[4,5-c]azepine);5-(5-methyl-3-pyridinyl)-2-pyridin-2-yl-4,6,7,8-tetrahydro-[1,3]oxazolo[4,5-c]azepine.
What is the SMILES notation for bis(5-(3-fluoro-5-methylphenyl)-2-pyridin-2-yl-4,6,7,8-tetrahydro-[1,3]oxazolo[4,5-c]azepine);2-(5-fluoro-2-pyridinyl)-5-(3-methylphenyl)-4,6,7,8-tetrahydro-[1,3]oxazolo[4,5-c]azepine;5-(6-methoxy-2-pyridinyl)-2-pyridin-2-yl-4,6,7,8-tetrahydro-[1,3]oxazolo[4,5-c]azepine;tris(5-(3-methylphenyl)-2-pyridin-2-yl-4,6,7,8-tetrahydro-[1,3]oxazolo[4,5-c]azepine);5-(5-methyl-3-pyridinyl)-2-pyridin-2-yl-4,6,7,8-tetrahydro-[1,3]oxazolo[4,5-c]azepine?
The canonical SMILES for bis(5-(3-fluoro-5-methylphenyl)-2-pyridin-2-yl-4,6,7,8-tetrahydro-[1,3]oxazolo[4,5-c]azepine);2-(5-fluoro-2-pyridinyl)-5-(3-methylphenyl)-4,6,7,8-tetrahydro-[1,3]oxazolo[4,5-c]azepine;5-(6-methoxy-2-pyridinyl)-2-pyridin-2-yl-4,6,7,8-tetrahydro-[1,3]oxazolo[4,5-c]azepine;tris(5-(3-methylphenyl)-2-pyridin-2-yl-4,6,7,8-tetrahydro-[1,3]oxazolo[4,5-c]azepine);5-(5-methyl-3-pyridinyl)-2-pyridin-2-yl-4,6,7,8-tetrahydro-[1,3]oxazolo[4,5-c]azepine is COc1cccc(N2CCCc3oc(-c4ccccn4)nc3C2)n1.Cc1cc(F)cc(N2CCCc3oc(-c4ccccn4)nc3C2)c1.Cc1cc(F)cc(N2CCCc3oc(-c4ccccn4)nc3C2)c1.Cc1cccc(N2CCCc3oc(-c4ccc(F)cn4)nc3C2)c1.Cc1cccc(N2CCCc3oc(-c4ccccn4)nc3C2)c1.Cc1cccc(N2CCCc3oc(-c4ccccn4)nc3C2)c1.Cc1cccc(N2CCCc3oc(-c4ccccn4)nc3C2)c1.Cc1cncc(N2CCCc3oc(-c4ccccn4)nc3C2)c1.
What is the InChIKey of bis(5-(3-fluoro-5-methylphenyl)-2-pyridin-2-yl-4,6,7,8-tetrahydro-[1,3]oxazolo[4,5-c]azepine);2-(5-fluoro-2-pyridinyl)-5-(3-methylphenyl)-4,6,7,8-tetrahydro-[1,3]oxazolo[4,5-c]azepine;5-(6-methoxy-2-pyridinyl)-2-pyridin-2-yl-4,6,7,8-tetrahydro-[1,3]oxazolo[4,5-c]azepine;tris(5-(3-methylphenyl)-2-pyridin-2-yl-4,6,7,8-tetrahydro-[1,3]oxazolo[4,5-c]azepine);5-(5-methyl-3-pyridinyl)-2-pyridin-2-yl-4,6,7,8-tetrahydro-[1,3]oxazolo[4,5-c]azepine?
The InChIKey is AJKPPUWHPVUBAX-UHFFFAOYSA-N. The full InChI is InChI=1S/3C19H18FN3O.3C19H19N3O.C18H18N4O2.C18H18N4O/c1-13-4-2-5-15(10-13)23-9-3-6-18-17(12-23)22-19(24-18)16-8-7-14(20)11-21-16;2*1-13-9-14(20)11-15(10-13)23-8-4-6-18-17(12-23)22-19(24-18)16-5-2-3-7-21-16;3*1-14-6-4-7-15(12-14)22-11-5-9-18-17(13-22)21-19(23-18)16-8-2-3-10-20-16;1-23-17-9-4-8-16(21-17)22-11-5-7-15-14(12-22)20-18(24-15)13-6-2-3-10-19-13;1-13-9-14(11-19-10-13)22-8-4-6-17-16(12-22)21-18(23-17)15-5-2-3-7-20-15/h2,4-5,7-8,10-11H,3,6,9,12H2,1H3;2*2-3,5,7,9-11H,4,6,8,12H2,1H3;3*2-4,6-8,10,12H,5,9,11,13H2,1H3;2-4,6,8-10H,5,7,11-12H2,1H3;2-3,5,7,9-11H,4,6,8,12H2,1H3.
What are the key properties of bis(5-(3-fluoro-5-methylphenyl)-2-pyridin-2-yl-4,6,7,8-tetrahydro-[1,3]oxazolo[4,5-c]azepine);2-(5-fluoro-2-pyridinyl)-5-(3-methylphenyl)-4,6,7,8-tetrahydro-[1,3]oxazolo[4,5-c]azepine;5-(6-methoxy-2-pyridinyl)-2-pyridin-2-yl-4,6,7,8-tetrahydro-[1,3]oxazolo[4,5-c]azepine;tris(5-(3-methylphenyl)-2-pyridin-2-yl-4,6,7,8-tetrahydro-[1,3]oxazolo[4,5-c]azepine);5-(5-methyl-3-pyridinyl)-2-pyridin-2-yl-4,6,7,8-tetrahydro-[1,3]oxazolo[4,5-c]azepine?
bis(5-(3-fluoro-5-methylphenyl)-2-pyridin-2-yl-4,6,7,8-tetrahydro-[1,3]oxazolo[4,5-c]azepine);2-(5-fluoro-2-pyridinyl)-5-(3-methylphenyl)-4,6,7,8-tetrahydro-[1,3]oxazolo[4,5-c]azepine;5-(6-methoxy-2-pyridinyl)-2-pyridin-2-yl-4,6,7,8-tetrahydro-[1,3]oxazolo[4,5-c]azepine;tris(5-(3-methylphenyl)-2-pyridin-2-yl-4,6,7,8-tetrahydro-[1,3]oxazolo[4,5-c]azepine);5-(5-methyl-3-pyridinyl)-2-pyridin-2-yl-4,6,7,8-tetrahydro-[1,3]oxazolo[4,5-c]azepine has a molecular weight of 2514.99 g/mol, XLogP of 30.89, 17 rotatable bonds, 0 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for bis(5-(3-fluoro-5-methylphenyl)-2-pyridin-2-yl-4,6,7,8-tetrahydro-[1,3]oxazolo[4,5-c]azepine);2-(5-fluoro-2-pyridinyl)-5-(3-methylphenyl)-4,6,7,8-tetrahydro-[1,3]oxazolo[4,5-c]azepine;5-(6-methoxy-2-pyridinyl)-2-pyridin-2-yl-4,6,7,8-tetrahydro-[1,3]oxazolo[4,5-c]azepine;tris(5-(3-methylphenyl)-2-pyridin-2-yl-4,6,7,8-tetrahydro-[1,3]oxazolo[4,5-c]azepine);5-(5-methyl-3-pyridinyl)-2-pyridin-2-yl-4,6,7,8-tetrahydro-[1,3]oxazolo[4,5-c]azepine is sourced from PubChem (CID 157134143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).