4-(4-fluorophenyl)-5-(3-propan-2-yloxy-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,3-oxazole

C18H15FN4O2 — CID 23647336

IUPAC4-(4-fluorophenyl)-5-(3-propan-2-yloxy-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,3-oxazole
SMILESCC(C)Oc1nnc2ccc(-c3ocnc3-c3ccc(F)cc3)cn12
InChIInChI=1S/C18H15FN4O2/c1-11(2)25-18-22-21-15-8-5-13(9-23(15)18)17-16(20-10-24-17)12-3-6-14(19)7-4-12/h3-11H,1-2H3
InChIKeyMJYLXFFGAPFRNQ-UHFFFAOYSA-N
MW338.34 g/mol
LogP3.98
Rot. Bonds4

About 4-(4-fluorophenyl)-5-(3-propan-2-yloxy-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,3-oxazole

4-(4-fluorophenyl)-5-(3-propan-2-yloxy-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,3-oxazole (PubChem CID 23647336) has the molecular formula C18H15FN4O2 and a molecular weight of 338.34 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-5-(3-propan-2-yloxy-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,3-oxazole.

Molecular Properties

Compound Name4-(4-fluorophenyl)-5-(3-propan-2-yloxy-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,3-oxazole
PubChem CID23647336
Molecular FormulaC18H15FN4O2
Molecular Weight338.34 g/mol
Exact Mass338.12
IUPAC Name4-(4-fluorophenyl)-5-(3-propan-2-yloxy-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,3-oxazole
SMILESCC(C)Oc1nnc2ccc(-c3ocnc3-c3ccc(F)cc3)cn12
InChIInChI=1S/C18H15FN4O2/c1-11(2)25-18-22-21-15-8-5-13(9-23(15)18)17-16(20-10-24-17)12-3-6-14(19)7-4-12/h3-11H,1-2H3
InChIKeyMJYLXFFGAPFRNQ-UHFFFAOYSA-N
XLogP3.98
TPSA65.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.34
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-5-(3-propan-2-yloxy-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,3-oxazole?
The IUPAC name of 4-(4-fluorophenyl)-5-(3-propan-2-yloxy-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,3-oxazole (CID 23647336) is 4-(4-fluorophenyl)-5-(3-propan-2-yloxy-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,3-oxazole.
What is the SMILES notation for 4-(4-fluorophenyl)-5-(3-propan-2-yloxy-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,3-oxazole?
The canonical SMILES for 4-(4-fluorophenyl)-5-(3-propan-2-yloxy-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,3-oxazole is CC(C)Oc1nnc2ccc(-c3ocnc3-c3ccc(F)cc3)cn12.
What is the InChIKey of 4-(4-fluorophenyl)-5-(3-propan-2-yloxy-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,3-oxazole?
The InChIKey is MJYLXFFGAPFRNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4O2/c1-11(2)25-18-22-21-15-8-5-13(9-23(15)18)17-16(20-10-24-17)12-3-6-14(19)7-4-12/h3-11H,1-2H3.
What are the key properties of 4-(4-fluorophenyl)-5-(3-propan-2-yloxy-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,3-oxazole?
4-(4-fluorophenyl)-5-(3-propan-2-yloxy-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,3-oxazole has a molecular weight of 338.34 g/mol, XLogP of 3.98, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-5-(3-propan-2-yloxy-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,3-oxazole is sourced from PubChem (CID 23647336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).