5-(1-cyclopentylideneethyl)-3-[1-(2-fluoroethyl)pyrazol-4-yl]-1,2,4-oxadiazole

C14H17FN4O — CID 138020840

IUPAC5-(1-cyclopentylideneethyl)-3-[1-(2-fluoroethyl)pyrazol-4-yl]-1,2,4-oxadiazole
SMILESCC(=C1CCCC1)c1nc(-c2cnn(CCF)c2)no1
InChIInChI=1S/C14H17FN4O/c1-10(11-4-2-3-5-11)14-17-13(18-20-14)12-8-16-19(9-12)7-6-15/h8-9H,2-7H2,1H3
InChIKeyKCUDSQPBASTLGL-UHFFFAOYSA-N
MW276.31 g/mol
LogP3.25
Rot. Bonds4

About 5-(1-cyclopentylideneethyl)-3-[1-(2-fluoroethyl)pyrazol-4-yl]-1,2,4-oxadiazole

5-(1-cyclopentylideneethyl)-3-[1-(2-fluoroethyl)pyrazol-4-yl]-1,2,4-oxadiazole (PubChem CID 138020840) has the molecular formula C14H17FN4O and a molecular weight of 276.31 g/mol. Its IUPAC name is 5-(1-cyclopentylideneethyl)-3-[1-(2-fluoroethyl)pyrazol-4-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(1-cyclopentylideneethyl)-3-[1-(2-fluoroethyl)pyrazol-4-yl]-1,2,4-oxadiazole
PubChem CID138020840
Molecular FormulaC14H17FN4O
Molecular Weight276.31 g/mol
Exact Mass276.14
IUPAC Name5-(1-cyclopentylideneethyl)-3-[1-(2-fluoroethyl)pyrazol-4-yl]-1,2,4-oxadiazole
SMILESCC(=C1CCCC1)c1nc(-c2cnn(CCF)c2)no1
InChIInChI=1S/C14H17FN4O/c1-10(11-4-2-3-5-11)14-17-13(18-20-14)12-8-16-19(9-12)7-6-15/h8-9H,2-7H2,1H3
InChIKeyKCUDSQPBASTLGL-UHFFFAOYSA-N
XLogP3.25
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(1-cyclopentylideneethyl)-3-[1-(2-fluoroethyl)pyrazol-4-yl]-1,2,4-oxadiazole?
The IUPAC name of 5-(1-cyclopentylideneethyl)-3-[1-(2-fluoroethyl)pyrazol-4-yl]-1,2,4-oxadiazole (CID 138020840) is 5-(1-cyclopentylideneethyl)-3-[1-(2-fluoroethyl)pyrazol-4-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(1-cyclopentylideneethyl)-3-[1-(2-fluoroethyl)pyrazol-4-yl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(1-cyclopentylideneethyl)-3-[1-(2-fluoroethyl)pyrazol-4-yl]-1,2,4-oxadiazole is CC(=C1CCCC1)c1nc(-c2cnn(CCF)c2)no1.
What is the InChIKey of 5-(1-cyclopentylideneethyl)-3-[1-(2-fluoroethyl)pyrazol-4-yl]-1,2,4-oxadiazole?
The InChIKey is KCUDSQPBASTLGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4O/c1-10(11-4-2-3-5-11)14-17-13(18-20-14)12-8-16-19(9-12)7-6-15/h8-9H,2-7H2,1H3.
What are the key properties of 5-(1-cyclopentylideneethyl)-3-[1-(2-fluoroethyl)pyrazol-4-yl]-1,2,4-oxadiazole?
5-(1-cyclopentylideneethyl)-3-[1-(2-fluoroethyl)pyrazol-4-yl]-1,2,4-oxadiazole has a molecular weight of 276.31 g/mol, XLogP of 3.25, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-cyclopentylideneethyl)-3-[1-(2-fluoroethyl)pyrazol-4-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 138020840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).