4-[6-[4-(4-fluorophenyl)-1,3-oxazol-5-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]morpholine

C19H16FN5O2 — CID 23647342

IUPAC4-[6-[4-(4-fluorophenyl)-1,3-oxazol-5-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]morpholine
SMILESFc1ccc(-c2ncoc2-c2ccc3nnc(N4CCOCC4)n3c2)cc1
InChIInChI=1S/C19H16FN5O2/c20-15-4-1-13(2-5-15)17-18(27-12-21-17)14-3-6-16-22-23-19(25(16)11-14)24-7-9-26-10-8-24/h1-6,11-12H,7-10H2
InChIKeyLMYKNINLHCJDHE-UHFFFAOYSA-N
MW365.37 g/mol
LogP3.03
Rot. Bonds3

About 4-[6-[4-(4-fluorophenyl)-1,3-oxazol-5-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]morpholine

4-[6-[4-(4-fluorophenyl)-1,3-oxazol-5-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]morpholine (PubChem CID 23647342) has the molecular formula C19H16FN5O2 and a molecular weight of 365.37 g/mol. Its IUPAC name is 4-[6-[4-(4-fluorophenyl)-1,3-oxazol-5-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]morpholine.

Molecular Properties

Compound Name4-[6-[4-(4-fluorophenyl)-1,3-oxazol-5-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]morpholine
PubChem CID23647342
Molecular FormulaC19H16FN5O2
Molecular Weight365.37 g/mol
Exact Mass365.13
IUPAC Name4-[6-[4-(4-fluorophenyl)-1,3-oxazol-5-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]morpholine
SMILESFc1ccc(-c2ncoc2-c2ccc3nnc(N4CCOCC4)n3c2)cc1
InChIInChI=1S/C19H16FN5O2/c20-15-4-1-13(2-5-15)17-18(27-12-21-17)14-3-6-16-22-23-19(25(16)11-14)24-7-9-26-10-8-24/h1-6,11-12H,7-10H2
InChIKeyLMYKNINLHCJDHE-UHFFFAOYSA-N
XLogP3.03
TPSA68.69 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.37
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[6-[4-(4-fluorophenyl)-1,3-oxazol-5-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]morpholine?
The IUPAC name of 4-[6-[4-(4-fluorophenyl)-1,3-oxazol-5-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]morpholine (CID 23647342) is 4-[6-[4-(4-fluorophenyl)-1,3-oxazol-5-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]morpholine.
What is the SMILES notation for 4-[6-[4-(4-fluorophenyl)-1,3-oxazol-5-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]morpholine?
The canonical SMILES for 4-[6-[4-(4-fluorophenyl)-1,3-oxazol-5-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]morpholine is Fc1ccc(-c2ncoc2-c2ccc3nnc(N4CCOCC4)n3c2)cc1.
What is the InChIKey of 4-[6-[4-(4-fluorophenyl)-1,3-oxazol-5-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]morpholine?
The InChIKey is LMYKNINLHCJDHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN5O2/c20-15-4-1-13(2-5-15)17-18(27-12-21-17)14-3-6-16-22-23-19(25(16)11-14)24-7-9-26-10-8-24/h1-6,11-12H,7-10H2.
What are the key properties of 4-[6-[4-(4-fluorophenyl)-1,3-oxazol-5-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]morpholine?
4-[6-[4-(4-fluorophenyl)-1,3-oxazol-5-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]morpholine has a molecular weight of 365.37 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[4-(4-fluorophenyl)-1,3-oxazol-5-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]morpholine is sourced from PubChem (CID 23647342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).