5-pyrrolidin-2-yl-3-[4-[4-(2-pyrrolidin-2-yl-1,3-thiazol-4-yl)phenyl]phenyl]-1,2,4-oxadiazole

C25H25N5OS — CID 67225116

IUPAC5-pyrrolidin-2-yl-3-[4-[4-(2-pyrrolidin-2-yl-1,3-thiazol-4-yl)phenyl]phenyl]-1,2,4-oxadiazole
SMILESc1cc(-c2csc(C3CCCN3)n2)ccc1-c1ccc(-c2noc(C3CCCN3)n2)cc1
InChIInChI=1S/C25H25N5OS/c1-3-20(26-13-1)24-29-23(30-31-24)19-11-7-17(8-12-19)16-5-9-18(10-6-16)22-15-32-25(28-22)21-4-2-14-27-21/h5-12,15,20-21,26-27H,1-4,13-14H2
InChIKeyGLSSGUOQZGGTMB-UHFFFAOYSA-N
MW443.58 g/mol
LogP5.38
Rot. Bonds5

About 5-pyrrolidin-2-yl-3-[4-[4-(2-pyrrolidin-2-yl-1,3-thiazol-4-yl)phenyl]phenyl]-1,2,4-oxadiazole

5-pyrrolidin-2-yl-3-[4-[4-(2-pyrrolidin-2-yl-1,3-thiazol-4-yl)phenyl]phenyl]-1,2,4-oxadiazole (PubChem CID 67225116) has the molecular formula C25H25N5OS and a molecular weight of 443.58 g/mol. Its IUPAC name is 5-pyrrolidin-2-yl-3-[4-[4-(2-pyrrolidin-2-yl-1,3-thiazol-4-yl)phenyl]phenyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-pyrrolidin-2-yl-3-[4-[4-(2-pyrrolidin-2-yl-1,3-thiazol-4-yl)phenyl]phenyl]-1,2,4-oxadiazole
PubChem CID67225116
Molecular FormulaC25H25N5OS
Molecular Weight443.58 g/mol
Exact Mass443.18
IUPAC Name5-pyrrolidin-2-yl-3-[4-[4-(2-pyrrolidin-2-yl-1,3-thiazol-4-yl)phenyl]phenyl]-1,2,4-oxadiazole
SMILESc1cc(-c2csc(C3CCCN3)n2)ccc1-c1ccc(-c2noc(C3CCCN3)n2)cc1
InChIInChI=1S/C25H25N5OS/c1-3-20(26-13-1)24-29-23(30-31-24)19-11-7-17(8-12-19)16-5-9-18(10-6-16)22-15-32-25(28-22)21-4-2-14-27-21/h5-12,15,20-21,26-27H,1-4,13-14H2
InChIKeyGLSSGUOQZGGTMB-UHFFFAOYSA-N
XLogP5.38
TPSA75.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.58
LogP ≤ 55.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-pyrrolidin-2-yl-3-[4-[4-(2-pyrrolidin-2-yl-1,3-thiazol-4-yl)phenyl]phenyl]-1,2,4-oxadiazole?
The IUPAC name of 5-pyrrolidin-2-yl-3-[4-[4-(2-pyrrolidin-2-yl-1,3-thiazol-4-yl)phenyl]phenyl]-1,2,4-oxadiazole (CID 67225116) is 5-pyrrolidin-2-yl-3-[4-[4-(2-pyrrolidin-2-yl-1,3-thiazol-4-yl)phenyl]phenyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-pyrrolidin-2-yl-3-[4-[4-(2-pyrrolidin-2-yl-1,3-thiazol-4-yl)phenyl]phenyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-pyrrolidin-2-yl-3-[4-[4-(2-pyrrolidin-2-yl-1,3-thiazol-4-yl)phenyl]phenyl]-1,2,4-oxadiazole is c1cc(-c2csc(C3CCCN3)n2)ccc1-c1ccc(-c2noc(C3CCCN3)n2)cc1.
What is the InChIKey of 5-pyrrolidin-2-yl-3-[4-[4-(2-pyrrolidin-2-yl-1,3-thiazol-4-yl)phenyl]phenyl]-1,2,4-oxadiazole?
The InChIKey is GLSSGUOQZGGTMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5OS/c1-3-20(26-13-1)24-29-23(30-31-24)19-11-7-17(8-12-19)16-5-9-18(10-6-16)22-15-32-25(28-22)21-4-2-14-27-21/h5-12,15,20-21,26-27H,1-4,13-14H2.
What are the key properties of 5-pyrrolidin-2-yl-3-[4-[4-(2-pyrrolidin-2-yl-1,3-thiazol-4-yl)phenyl]phenyl]-1,2,4-oxadiazole?
5-pyrrolidin-2-yl-3-[4-[4-(2-pyrrolidin-2-yl-1,3-thiazol-4-yl)phenyl]phenyl]-1,2,4-oxadiazole has a molecular weight of 443.58 g/mol, XLogP of 5.38, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyrrolidin-2-yl-3-[4-[4-(2-pyrrolidin-2-yl-1,3-thiazol-4-yl)phenyl]phenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 67225116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).