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

C19H16FN5O — CID 23647338

IUPAC4-(4-fluorophenyl)-5-(3-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,3-oxazole
SMILESFc1ccc(-c2ncoc2-c2ccc3nnc(N4CCCC4)n3c2)cc1
InChIInChI=1S/C19H16FN5O/c20-15-6-3-13(4-7-15)17-18(26-12-21-17)14-5-8-16-22-23-19(25(16)11-14)24-9-1-2-10-24/h3-8,11-12H,1-2,9-10H2
InChIKeyJKSVPILHZOTLQD-UHFFFAOYSA-N
MW349.37 g/mol
LogP3.79
Rot. Bonds3

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

4-(4-fluorophenyl)-5-(3-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,3-oxazole (PubChem CID 23647338) has the molecular formula C19H16FN5O and a molecular weight of 349.37 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-5-(3-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,3-oxazole.

Molecular Properties

Compound Name4-(4-fluorophenyl)-5-(3-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,3-oxazole
PubChem CID23647338
Molecular FormulaC19H16FN5O
Molecular Weight349.37 g/mol
Exact Mass349.13
IUPAC Name4-(4-fluorophenyl)-5-(3-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,3-oxazole
SMILESFc1ccc(-c2ncoc2-c2ccc3nnc(N4CCCC4)n3c2)cc1
InChIInChI=1S/C19H16FN5O/c20-15-6-3-13(4-7-15)17-18(26-12-21-17)14-5-8-16-22-23-19(25(16)11-14)24-9-1-2-10-24/h3-8,11-12H,1-2,9-10H2
InChIKeyJKSVPILHZOTLQD-UHFFFAOYSA-N
XLogP3.79
TPSA59.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.37
LogP ≤ 53.79
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-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,3-oxazole?
The IUPAC name of 4-(4-fluorophenyl)-5-(3-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,3-oxazole (CID 23647338) is 4-(4-fluorophenyl)-5-(3-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,3-oxazole.
What is the SMILES notation for 4-(4-fluorophenyl)-5-(3-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,3-oxazole?
The canonical SMILES for 4-(4-fluorophenyl)-5-(3-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,3-oxazole is Fc1ccc(-c2ncoc2-c2ccc3nnc(N4CCCC4)n3c2)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-5-(3-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,3-oxazole?
The InChIKey is JKSVPILHZOTLQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN5O/c20-15-6-3-13(4-7-15)17-18(26-12-21-17)14-5-8-16-22-23-19(25(16)11-14)24-9-1-2-10-24/h3-8,11-12H,1-2,9-10H2.
What are the key properties of 4-(4-fluorophenyl)-5-(3-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,3-oxazole?
4-(4-fluorophenyl)-5-(3-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,3-oxazole has a molecular weight of 349.37 g/mol, XLogP of 3.79, 3 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-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,3-oxazole is sourced from PubChem (CID 23647338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).