5-(4-cyclopentyl-1,3-thiazol-5-yl)-3-(pyridin-3-ylmethyl)-1,2,4-oxadiazole

C16H16N4OS — CID 146084988

IUPAC5-(4-cyclopentyl-1,3-thiazol-5-yl)-3-(pyridin-3-ylmethyl)-1,2,4-oxadiazole
SMILESc1cncc(Cc2noc(-c3scnc3C3CCCC3)n2)c1
InChIInChI=1S/C16H16N4OS/c1-2-6-12(5-1)14-15(22-10-18-14)16-19-13(20-21-16)8-11-4-3-7-17-9-11/h3-4,7,9-10,12H,1-2,5-6,8H2
InChIKeyAEFGMNXCWAMXKL-UHFFFAOYSA-N
MW312.40 g/mol
LogP3.84
Rot. Bonds4

About 5-(4-cyclopentyl-1,3-thiazol-5-yl)-3-(pyridin-3-ylmethyl)-1,2,4-oxadiazole

5-(4-cyclopentyl-1,3-thiazol-5-yl)-3-(pyridin-3-ylmethyl)-1,2,4-oxadiazole (PubChem CID 146084988) has the molecular formula C16H16N4OS and a molecular weight of 312.40 g/mol. Its IUPAC name is 5-(4-cyclopentyl-1,3-thiazol-5-yl)-3-(pyridin-3-ylmethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(4-cyclopentyl-1,3-thiazol-5-yl)-3-(pyridin-3-ylmethyl)-1,2,4-oxadiazole
PubChem CID146084988
Molecular FormulaC16H16N4OS
Molecular Weight312.40 g/mol
Exact Mass312.10
IUPAC Name5-(4-cyclopentyl-1,3-thiazol-5-yl)-3-(pyridin-3-ylmethyl)-1,2,4-oxadiazole
SMILESc1cncc(Cc2noc(-c3scnc3C3CCCC3)n2)c1
InChIInChI=1S/C16H16N4OS/c1-2-6-12(5-1)14-15(22-10-18-14)16-19-13(20-21-16)8-11-4-3-7-17-9-11/h3-4,7,9-10,12H,1-2,5-6,8H2
InChIKeyAEFGMNXCWAMXKL-UHFFFAOYSA-N
XLogP3.84
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.40
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(4-cyclopentyl-1,3-thiazol-5-yl)-3-(pyridin-3-ylmethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(4-cyclopentyl-1,3-thiazol-5-yl)-3-(pyridin-3-ylmethyl)-1,2,4-oxadiazole (CID 146084988) is 5-(4-cyclopentyl-1,3-thiazol-5-yl)-3-(pyridin-3-ylmethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(4-cyclopentyl-1,3-thiazol-5-yl)-3-(pyridin-3-ylmethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(4-cyclopentyl-1,3-thiazol-5-yl)-3-(pyridin-3-ylmethyl)-1,2,4-oxadiazole is c1cncc(Cc2noc(-c3scnc3C3CCCC3)n2)c1.
What is the InChIKey of 5-(4-cyclopentyl-1,3-thiazol-5-yl)-3-(pyridin-3-ylmethyl)-1,2,4-oxadiazole?
The InChIKey is AEFGMNXCWAMXKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4OS/c1-2-6-12(5-1)14-15(22-10-18-14)16-19-13(20-21-16)8-11-4-3-7-17-9-11/h3-4,7,9-10,12H,1-2,5-6,8H2.
What are the key properties of 5-(4-cyclopentyl-1,3-thiazol-5-yl)-3-(pyridin-3-ylmethyl)-1,2,4-oxadiazole?
5-(4-cyclopentyl-1,3-thiazol-5-yl)-3-(pyridin-3-ylmethyl)-1,2,4-oxadiazole has a molecular weight of 312.40 g/mol, XLogP of 3.84, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-cyclopentyl-1,3-thiazol-5-yl)-3-(pyridin-3-ylmethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 146084988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).