3-cyclopentyl-5-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-[1,2]oxazolo[5,4-b]pyridine

C19H15FN4O2 — CID 56804585

IUPAC3-cyclopentyl-5-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-[1,2]oxazolo[5,4-b]pyridine
SMILESFc1ccc(-c2nnc(-c3cnc4onc(C5CCCC5)c4c3)o2)cc1
InChIInChI=1S/C19H15FN4O2/c20-14-7-5-12(6-8-14)17-22-23-18(25-17)13-9-15-16(11-3-1-2-4-11)24-26-19(15)21-10-13/h5-11H,1-4H2
InChIKeyVAYVJLFUFCPKTH-UHFFFAOYSA-N
MW350.35 g/mol
LogP4.74
Rot. Bonds3

About 3-cyclopentyl-5-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-[1,2]oxazolo[5,4-b]pyridine

3-cyclopentyl-5-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-[1,2]oxazolo[5,4-b]pyridine (PubChem CID 56804585) has the molecular formula C19H15FN4O2 and a molecular weight of 350.35 g/mol. Its IUPAC name is 3-cyclopentyl-5-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-[1,2]oxazolo[5,4-b]pyridine.

Molecular Properties

Compound Name3-cyclopentyl-5-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-[1,2]oxazolo[5,4-b]pyridine
PubChem CID56804585
Molecular FormulaC19H15FN4O2
Molecular Weight350.35 g/mol
Exact Mass350.12
IUPAC Name3-cyclopentyl-5-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-[1,2]oxazolo[5,4-b]pyridine
SMILESFc1ccc(-c2nnc(-c3cnc4onc(C5CCCC5)c4c3)o2)cc1
InChIInChI=1S/C19H15FN4O2/c20-14-7-5-12(6-8-14)17-22-23-18(25-17)13-9-15-16(11-3-1-2-4-11)24-26-19(15)21-10-13/h5-11H,1-4H2
InChIKeyVAYVJLFUFCPKTH-UHFFFAOYSA-N
XLogP4.74
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.35
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-5-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-[1,2]oxazolo[5,4-b]pyridine?
The IUPAC name of 3-cyclopentyl-5-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-[1,2]oxazolo[5,4-b]pyridine (CID 56804585) is 3-cyclopentyl-5-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-[1,2]oxazolo[5,4-b]pyridine.
What is the SMILES notation for 3-cyclopentyl-5-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-[1,2]oxazolo[5,4-b]pyridine?
The canonical SMILES for 3-cyclopentyl-5-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-[1,2]oxazolo[5,4-b]pyridine is Fc1ccc(-c2nnc(-c3cnc4onc(C5CCCC5)c4c3)o2)cc1.
What is the InChIKey of 3-cyclopentyl-5-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-[1,2]oxazolo[5,4-b]pyridine?
The InChIKey is VAYVJLFUFCPKTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN4O2/c20-14-7-5-12(6-8-14)17-22-23-18(25-17)13-9-15-16(11-3-1-2-4-11)24-26-19(15)21-10-13/h5-11H,1-4H2.
What are the key properties of 3-cyclopentyl-5-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-[1,2]oxazolo[5,4-b]pyridine?
3-cyclopentyl-5-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-[1,2]oxazolo[5,4-b]pyridine has a molecular weight of 350.35 g/mol, XLogP of 4.74, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-5-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-[1,2]oxazolo[5,4-b]pyridine is sourced from PubChem (CID 56804585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).