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

C18H15FN4O — CID 23433744

IUPAC4-(3-fluorophenyl)-5-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,3-oxazole
SMILESCC(C)c1nnc2ccc(-c3ocnc3-c3cccc(F)c3)cn12
InChIInChI=1S/C18H15FN4O/c1-11(2)18-22-21-15-7-6-13(9-23(15)18)17-16(20-10-24-17)12-4-3-5-14(19)8-12/h3-11H,1-2H3
InChIKeyPPPKNNQINQHKNZ-UHFFFAOYSA-N
MW322.34 g/mol
LogP4.31
Rot. Bonds3

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

4-(3-fluorophenyl)-5-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,3-oxazole (PubChem CID 23433744) has the molecular formula C18H15FN4O and a molecular weight of 322.34 g/mol. Its IUPAC name is 4-(3-fluorophenyl)-5-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,3-oxazole.

Molecular Properties

Compound Name4-(3-fluorophenyl)-5-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,3-oxazole
PubChem CID23433744
Molecular FormulaC18H15FN4O
Molecular Weight322.34 g/mol
Exact Mass322.12
IUPAC Name4-(3-fluorophenyl)-5-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,3-oxazole
SMILESCC(C)c1nnc2ccc(-c3ocnc3-c3cccc(F)c3)cn12
InChIInChI=1S/C18H15FN4O/c1-11(2)18-22-21-15-7-6-13(9-23(15)18)17-16(20-10-24-17)12-4-3-5-14(19)8-12/h3-11H,1-2H3
InChIKeyPPPKNNQINQHKNZ-UHFFFAOYSA-N
XLogP4.31
TPSA56.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.34
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1,2,4-Triazolo(4,3-a)pyridine, 6-(4-(2,5-difluorophenyl)-5-oxazolyl)-3-(1-methylethyl)-
CID 9949821
Triazolopyridine oxazole inhibitor 61
CID 9975266
Triazolopyridine
CID 5289514
Triazolopyridine oxazole inhibitor 55
CID 23647339
Triazolopyridine oxazole inhibitor 56
CID 23647340
Triazolopyridine oxazole inhibitor 6
CID 9902305
Triazolopyridine oxazole inhibitor 71
CID 9906682
Triazolopyridine oxazole inhibitor 32
CID 9922441
Triazolopyridine oxazole inhibitor 46
CID 9923086
Triazolopyridine oxazole inhibitor 41
CID 9944440
Triazolopyridine oxazole inhibitor 33
CID 9944763
Triazolopyridine oxazole inhibitor 3
CID 9944851

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenyl)-5-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,3-oxazole?
The IUPAC name of 4-(3-fluorophenyl)-5-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,3-oxazole (CID 23433744) is 4-(3-fluorophenyl)-5-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,3-oxazole.
What is the SMILES notation for 4-(3-fluorophenyl)-5-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,3-oxazole?
The canonical SMILES for 4-(3-fluorophenyl)-5-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,3-oxazole is CC(C)c1nnc2ccc(-c3ocnc3-c3cccc(F)c3)cn12.
What is the InChIKey of 4-(3-fluorophenyl)-5-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,3-oxazole?
The InChIKey is PPPKNNQINQHKNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4O/c1-11(2)18-22-21-15-7-6-13(9-23(15)18)17-16(20-10-24-17)12-4-3-5-14(19)8-12/h3-11H,1-2H3.
What are the key properties of 4-(3-fluorophenyl)-5-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,3-oxazole?
4-(3-fluorophenyl)-5-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,3-oxazole has a molecular weight of 322.34 g/mol, XLogP of 4.31, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenyl)-5-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,3-oxazole is sourced from PubChem (CID 23433744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).