5-[1-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide

C14H17N5O2S — CID 128999887

IUPAC5-[1-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide
SMILESNC(=O)c1noc(C2CCCN2Cc2cnc(C3CC3)s2)n1
InChIInChI=1S/C14H17N5O2S/c15-11(20)12-17-13(21-18-12)10-2-1-5-19(10)7-9-6-16-14(22-9)8-3-4-8/h6,8,10H,1-5,7H2,(H2,15,20)
InChIKeyKPUDFVRFAWRWNT-UHFFFAOYSA-N
MW319.39 g/mol
LogP1.84
Rot. Bonds5

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

5-[1-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide (PubChem CID 128999887) has the molecular formula C14H17N5O2S and a molecular weight of 319.39 g/mol. Its IUPAC name is 5-[1-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name5-[1-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide
PubChem CID128999887
Molecular FormulaC14H17N5O2S
Molecular Weight319.39 g/mol
Exact Mass319.11
IUPAC Name5-[1-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide
SMILESNC(=O)c1noc(C2CCCN2Cc2cnc(C3CC3)s2)n1
InChIInChI=1S/C14H17N5O2S/c15-11(20)12-17-13(21-18-12)10-2-1-5-19(10)7-9-6-16-14(22-9)8-3-4-8/h6,8,10H,1-5,7H2,(H2,15,20)
InChIKeyKPUDFVRFAWRWNT-UHFFFAOYSA-N
XLogP1.84
TPSA98.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[1-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of 5-[1-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide (CID 128999887) is 5-[1-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for 5-[1-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for 5-[1-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide is NC(=O)c1noc(C2CCCN2Cc2cnc(C3CC3)s2)n1.
What is the InChIKey of 5-[1-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is KPUDFVRFAWRWNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O2S/c15-11(20)12-17-13(21-18-12)10-2-1-5-19(10)7-9-6-16-14(22-9)8-3-4-8/h6,8,10H,1-5,7H2,(H2,15,20).
What are the key properties of 5-[1-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide?
5-[1-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 319.39 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 128999887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).