2-[(2S)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-N-methyl-N-(1,3-thiazol-2-yl)acetamide

C14H19N5O2S — CID 95766273

IUPAC2-[(2S)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-N-methyl-N-(1,3-thiazol-2-yl)acetamide
SMILESCCc1nc([C@@H]2CCCN2CC(=O)N(C)c2nccs2)no1
InChIInChI=1S/C14H19N5O2S/c1-3-11-16-13(17-21-11)10-5-4-7-19(10)9-12(20)18(2)14-15-6-8-22-14/h6,8,10H,3-5,7,9H2,1-2H3/t10-/m0/s1
InChIKeyXWRXAGJKYWYIGA-JTQLQIEISA-N
MW321.41 g/mol
LogP1.89
Rot. Bonds5

About 2-[(2S)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-N-methyl-N-(1,3-thiazol-2-yl)acetamide

2-[(2S)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-N-methyl-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 95766273) has the molecular formula C14H19N5O2S and a molecular weight of 321.41 g/mol. Its IUPAC name is 2-[(2S)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-N-methyl-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[(2S)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-N-methyl-N-(1,3-thiazol-2-yl)acetamide
PubChem CID95766273
Molecular FormulaC14H19N5O2S
Molecular Weight321.41 g/mol
Exact Mass321.13
IUPAC Name2-[(2S)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-N-methyl-N-(1,3-thiazol-2-yl)acetamide
SMILESCCc1nc([C@@H]2CCCN2CC(=O)N(C)c2nccs2)no1
InChIInChI=1S/C14H19N5O2S/c1-3-11-16-13(17-21-11)10-5-4-7-19(10)9-12(20)18(2)14-15-6-8-22-14/h6,8,10H,3-5,7,9H2,1-2H3/t10-/m0/s1
InChIKeyXWRXAGJKYWYIGA-JTQLQIEISA-N
XLogP1.89
TPSA75.36 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.41
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

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N-[4-[[(2S)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-methylacetamide
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CID 95779275
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CID 97008723
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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-N-methyl-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[(2S)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-N-methyl-N-(1,3-thiazol-2-yl)acetamide (CID 95766273) is 2-[(2S)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-N-methyl-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[(2S)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-N-methyl-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[(2S)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-N-methyl-N-(1,3-thiazol-2-yl)acetamide is CCc1nc([C@@H]2CCCN2CC(=O)N(C)c2nccs2)no1.
What is the InChIKey of 2-[(2S)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-N-methyl-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is XWRXAGJKYWYIGA-JTQLQIEISA-N. The full InChI is InChI=1S/C14H19N5O2S/c1-3-11-16-13(17-21-11)10-5-4-7-19(10)9-12(20)18(2)14-15-6-8-22-14/h6,8,10H,3-5,7,9H2,1-2H3/t10-/m0/s1.
What are the key properties of 2-[(2S)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-N-methyl-N-(1,3-thiazol-2-yl)acetamide?
2-[(2S)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-N-methyl-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 321.41 g/mol, XLogP of 1.89, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-N-methyl-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 95766273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).