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

C16H23N5O2S — CID 95781199

IUPACN-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
SMILESCC(=O)N(C)c1nc(CN2CCC[C@H]2c2noc(C(C)C)n2)cs1
InChIInChI=1S/C16H23N5O2S/c1-10(2)15-18-14(19-23-15)13-6-5-7-21(13)8-12-9-24-16(17-12)20(4)11(3)22/h9-10,13H,5-8H2,1-4H3/t13-/m0/s1
InChIKeyHYOZVVOFUVWWMS-ZDUSSCGKSA-N
MW349.46 g/mol
LogP2.97
Rot. Bonds5

About 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

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 (PubChem CID 95781199) has the molecular formula C16H23N5O2S and a molecular weight of 349.46 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-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
PubChem CID95781199
Molecular FormulaC16H23N5O2S
Molecular Weight349.46 g/mol
Exact Mass349.16
IUPAC NameN-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
SMILESCC(=O)N(C)c1nc(CN2CCC[C@H]2c2noc(C(C)C)n2)cs1
InChIInChI=1S/C16H23N5O2S/c1-10(2)15-18-14(19-23-15)13-6-5-7-21(13)8-12-9-24-16(17-12)20(4)11(3)22/h9-10,13H,5-8H2,1-4H3/t13-/m0/s1
InChIKeyHYOZVVOFUVWWMS-ZDUSSCGKSA-N
XLogP2.97
TPSA75.36 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

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
2-propan-2-yl-5-[[(2R)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methyl]-1,3,4-oxadiazole
CID 95769217
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-benzyl-5-[[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methyl]-1,3,4-oxadiazole
CID 86879145
3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-1-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]propan-1-one
CID 136511978
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
3-[1-[2-(2,6-dichlorophenoxy)ethyl]pyrrolidin-2-yl]-5-propan-2-yl-1,2,4-oxadiazole
CID 86876731
5-propan-2-yl-3-[1-[3-(1H-pyrazol-4-yl)propyl]pyrrolidin-2-yl]-1,2,4-oxadiazole;hydroiodide
CID 167878547
2-(2,3-dihydro-1H-inden-5-yl)-1-[(2S)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethanone
CID 95779584
2-[(2S)-1-acetylpiperidin-2-yl]-1-[(2S)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethanone
CID 95779546
N-[4-[[(2R)-2-(4-methoxyphenyl)azepan-1-yl]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide
CID 40986377

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(=O)N(C)c1nc(CN2CCC[C@H]2c2noc(C(C)C)n2)cs1.
What is the InChIKey of 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?
The InChIKey is HYOZVVOFUVWWMS-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H23N5O2S/c1-10(2)15-18-14(19-23-15)13-6-5-7-21(13)8-12-9-24-16(17-12)20(4)11(3)22/h9-10,13H,5-8H2,1-4H3/t13-/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 349.46 g/mol, XLogP of 2.97, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 95781199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).