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

C15H21N5O2S — CID 95781197

IUPACN-[4-[[(2S)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-methylacetamide
SMILESCCc1nc([C@@H]2CCCN2Cc2csc(N(C)C(C)=O)n2)no1
InChIInChI=1S/C15H21N5O2S/c1-4-13-17-14(18-22-13)12-6-5-7-20(12)8-11-9-23-15(16-11)19(3)10(2)21/h9,12H,4-8H2,1-3H3/t12-/m0/s1
InChIKeyAWTAVCKWJSTKQW-LBPRGKRZSA-N
MW335.43 g/mol
LogP2.41
Rot. Bonds5

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

N-[4-[[(2S)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-methylacetamide (PubChem CID 95781197) has the molecular formula C15H21N5O2S and a molecular weight of 335.43 g/mol. Its IUPAC name is N-[4-[[(2S)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-[4-[[(2S)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-methylacetamide
PubChem CID95781197
Molecular FormulaC15H21N5O2S
Molecular Weight335.43 g/mol
Exact Mass335.14
IUPAC NameN-[4-[[(2S)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-methylacetamide
SMILESCCc1nc([C@@H]2CCCN2Cc2csc(N(C)C(C)=O)n2)no1
InChIInChI=1S/C15H21N5O2S/c1-4-13-17-14(18-22-13)12-6-5-7-20(12)8-11-9-23-15(16-11)19(3)10(2)21/h9,12H,4-8H2,1-3H3/t12-/m0/s1
InChIKeyAWTAVCKWJSTKQW-LBPRGKRZSA-N
XLogP2.41
TPSA75.36 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-methyl-N-[4-[[(2S)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 95781199
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
2-[(2R)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-N-methyl-N-[(1R)-1-thiophen-2-ylethyl]acetamide
CID 98772070
3-[(2S)-1-[(5-chlorothiadiazol-4-yl)methyl]pyrrolidin-2-yl]-5-ethyl-1,2,4-oxadiazole
CID 95766227
N-ethyl-N-[4-[[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 95570889
N-ethyl-N-[4-[[2-(2-methylphenyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 47054143
2-[[(2R)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methyl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 136726881
1-[2-[(2S)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]acetyl]imidazolidin-2-one
CID 95766259
[(2S)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-[2-(methoxymethyl)-1,3-thiazol-4-yl]methanone
CID 95779814
N-[2-[(2S)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethyl]ethanesulfonamide
CID 95763147
N-[4-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-(4-ethylphenyl)acetamide
CID 17423134
[(2S)-5,6-dimethyl-2,3-dihydro-1-benzofuran-2-yl]-[(2R)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
CID 95779415

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(2S)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-methylacetamide?
The IUPAC name of N-[4-[[(2S)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-methylacetamide (CID 95781197) is N-[4-[[(2S)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-methylacetamide.
What is the SMILES notation for N-[4-[[(2S)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-methylacetamide?
The canonical SMILES for N-[4-[[(2S)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-methylacetamide is CCc1nc([C@@H]2CCCN2Cc2csc(N(C)C(C)=O)n2)no1.
What is the InChIKey of N-[4-[[(2S)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-methylacetamide?
The InChIKey is AWTAVCKWJSTKQW-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H21N5O2S/c1-4-13-17-14(18-22-13)12-6-5-7-20(12)8-11-9-23-15(16-11)19(3)10(2)21/h9,12H,4-8H2,1-3H3/t12-/m0/s1.
What are the key properties of N-[4-[[(2S)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-methylacetamide?
N-[4-[[(2S)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-methylacetamide has a molecular weight of 335.43 g/mol, XLogP of 2.41, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(2S)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-methylacetamide is sourced from PubChem (CID 95781197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).