4-[[3-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclohexa-1,5-dien-1-yl]methyl]morpholine

C26H24FN7O2 — CID 70990569

IUPAC4-[[3-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclohexa-1,5-dien-1-yl]methyl]morpholine
SMILESFc1ccccc1-n1nnc(-c2nc(C3C=C(CN4CCOCC4)C=CC3)no2)c1-c1ccncc1
InChIInChI=1S/C26H24FN7O2/c27-21-6-1-2-7-22(21)34-24(19-8-10-28-11-9-19)23(30-32-34)26-29-25(31-36-26)20-5-3-4-18(16-20)17-33-12-14-35-15-13-33/h1-4,6-11,16,20H,5,12-15,17H2
InChIKeyXMJVSXJHJSRXOZ-UHFFFAOYSA-N
MW485.52 g/mol
LogP3.82
Rot. Bonds6

About 4-[[3-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclohexa-1,5-dien-1-yl]methyl]morpholine

4-[[3-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclohexa-1,5-dien-1-yl]methyl]morpholine (PubChem CID 70990569) has the molecular formula C26H24FN7O2 and a molecular weight of 485.52 g/mol. Its IUPAC name is 4-[[3-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclohexa-1,5-dien-1-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[3-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclohexa-1,5-dien-1-yl]methyl]morpholine
PubChem CID70990569
Molecular FormulaC26H24FN7O2
Molecular Weight485.52 g/mol
Exact Mass485.20
IUPAC Name4-[[3-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclohexa-1,5-dien-1-yl]methyl]morpholine
SMILESFc1ccccc1-n1nnc(-c2nc(C3C=C(CN4CCOCC4)C=CC3)no2)c1-c1ccncc1
InChIInChI=1S/C26H24FN7O2/c27-21-6-1-2-7-22(21)34-24(19-8-10-28-11-9-19)23(30-32-34)26-29-25(31-36-26)20-5-3-4-18(16-20)17-33-12-14-35-15-13-33/h1-4,6-11,16,20H,5,12-15,17H2
InChIKeyXMJVSXJHJSRXOZ-UHFFFAOYSA-N
XLogP3.82
TPSA94.99 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.52
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 4-[[3-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclohexa-1,5-dien-1-yl]methyl]morpholine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclohexa-1,5-dien-1-yl]methyl]morpholine?
The IUPAC name of 4-[[3-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclohexa-1,5-dien-1-yl]methyl]morpholine (CID 70990569) is 4-[[3-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclohexa-1,5-dien-1-yl]methyl]morpholine.
What is the SMILES notation for 4-[[3-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclohexa-1,5-dien-1-yl]methyl]morpholine?
The canonical SMILES for 4-[[3-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclohexa-1,5-dien-1-yl]methyl]morpholine is Fc1ccccc1-n1nnc(-c2nc(C3C=C(CN4CCOCC4)C=CC3)no2)c1-c1ccncc1.
What is the InChIKey of 4-[[3-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclohexa-1,5-dien-1-yl]methyl]morpholine?
The InChIKey is XMJVSXJHJSRXOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN7O2/c27-21-6-1-2-7-22(21)34-24(19-8-10-28-11-9-19)23(30-32-34)26-29-25(31-36-26)20-5-3-4-18(16-20)17-33-12-14-35-15-13-33/h1-4,6-11,16,20H,5,12-15,17H2.
What are the key properties of 4-[[3-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclohexa-1,5-dien-1-yl]methyl]morpholine?
4-[[3-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclohexa-1,5-dien-1-yl]methyl]morpholine has a molecular weight of 485.52 g/mol, XLogP of 3.82, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclohexa-1,5-dien-1-yl]methyl]morpholine is sourced from PubChem (CID 70990569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).