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

C26H22FN7O2 — CID 59604052

IUPAC4-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]morpholine
SMILESFc1ccccc1-n1nnc(-c2nc(-c3ccc(CN4CCOCC4)cc3)no2)c1-c1ccncc1
InChIInChI=1S/C26H22FN7O2/c27-21-3-1-2-4-22(21)34-24(19-9-11-28-12-10-19)23(30-32-34)26-29-25(31-36-26)20-7-5-18(6-8-20)17-33-13-15-35-16-14-33/h1-12H,13-17H2
InChIKeyIKZNDIPIPHDCTQ-UHFFFAOYSA-N
MW483.51 g/mol
LogP4.02
Rot. Bonds6

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

4-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]morpholine (PubChem CID 59604052) has the molecular formula C26H22FN7O2 and a molecular weight of 483.51 g/mol. Its IUPAC name is 4-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]morpholine.

Molecular Properties

Compound Name4-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]morpholine
PubChem CID59604052
Molecular FormulaC26H22FN7O2
Molecular Weight483.51 g/mol
Exact Mass483.18
IUPAC Name4-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]morpholine
SMILESFc1ccccc1-n1nnc(-c2nc(-c3ccc(CN4CCOCC4)cc3)no2)c1-c1ccncc1
InChIInChI=1S/C26H22FN7O2/c27-21-3-1-2-4-22(21)34-24(19-9-11-28-12-10-19)23(30-32-34)26-29-25(31-36-26)20-7-5-18(6-8-20)17-33-13-15-35-16-14-33/h1-12H,13-17H2
InChIKeyIKZNDIPIPHDCTQ-UHFFFAOYSA-N
XLogP4.02
TPSA94.99 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.51
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]morpholine?
The IUPAC name of 4-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]morpholine (CID 59604052) is 4-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]morpholine.
What is the SMILES notation for 4-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]morpholine?
The canonical SMILES for 4-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]morpholine is Fc1ccccc1-n1nnc(-c2nc(-c3ccc(CN4CCOCC4)cc3)no2)c1-c1ccncc1.
What is the InChIKey of 4-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]morpholine?
The InChIKey is IKZNDIPIPHDCTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22FN7O2/c27-21-3-1-2-4-22(21)34-24(19-9-11-28-12-10-19)23(30-32-34)26-29-25(31-36-26)20-7-5-18(6-8-20)17-33-13-15-35-16-14-33/h1-12H,13-17H2.
What are the key properties of 4-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]morpholine?
4-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]morpholine has a molecular weight of 483.51 g/mol, XLogP of 4.02, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]morpholine is sourced from PubChem (CID 59604052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).