N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-2-[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]acetamide

C15H23N3O4S — CID 30803881

IUPACN-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-2-[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]acetamide
SMILESCc1cc([C@H]2CCCN2CC(=O)N[C@@]2(C)CCS(=O)(=O)C2)no1
InChIInChI=1S/C15H23N3O4S/c1-11-8-12(17-22-11)13-4-3-6-18(13)9-14(19)16-15(2)5-7-23(20,21)10-15/h8,13H,3-7,9-10H2,1-2H3,(H,16,19)/t13-,15+/m1/s1
InChIKeyFUOYUFXOMLRKFR-HIFRSBDPSA-N
MW341.43 g/mol
LogP0.81
Rot. Bonds4

About N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-2-[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]acetamide

N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-2-[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]acetamide (PubChem CID 30803881) has the molecular formula C15H23N3O4S and a molecular weight of 341.43 g/mol. Its IUPAC name is N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-2-[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-2-[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]acetamide
PubChem CID30803881
Molecular FormulaC15H23N3O4S
Molecular Weight341.43 g/mol
Exact Mass341.14
IUPAC NameN-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-2-[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]acetamide
SMILESCc1cc([C@H]2CCCN2CC(=O)N[C@@]2(C)CCS(=O)(=O)C2)no1
InChIInChI=1S/C15H23N3O4S/c1-11-8-12(17-22-11)13-4-3-6-18(13)9-14(19)16-15(2)5-7-23(20,21)10-15/h8,13H,3-7,9-10H2,1-2H3,(H,16,19)/t13-,15+/m1/s1
InChIKeyFUOYUFXOMLRKFR-HIFRSBDPSA-N
XLogP0.81
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide
CID 62014731
2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide
CID 78942177
N-(5-chloro-2-pyridinyl)-2-[(2R)-2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]acetamide
CID 124754090
N-(3,4-difluorophenyl)-2-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]acetamide
CID 35244187
methyl 4-[[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methyl]benzoate
CID 50809341
N-[(1S)-1-(furan-2-yl)ethyl]-2-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]acetamide
CID 95288889
N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[(2R)-2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]acetamide
CID 124751686
2-[[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methyl]phenol
CID 92732581
2-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-N-[(1R)-1-(4-phenylphenyl)ethyl]acetamide
CID 124839054
(1R)-2-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-1-phenylethanol
CID 94000959
(3R)-N-(5-chloro-2-pyridinyl)-1-[2-[[(3S)-3-methyl-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl]piperidine-3-carboxamide
CID 100858130
ethyl 2-[1-[[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carbonyl]amino]cyclohexyl]acetate
CID 93070371

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-2-[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]acetamide?
The IUPAC name of N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-2-[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]acetamide (CID 30803881) is N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-2-[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-2-[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]acetamide?
The canonical SMILES for N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-2-[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]acetamide is Cc1cc([C@H]2CCCN2CC(=O)N[C@@]2(C)CCS(=O)(=O)C2)no1.
What is the InChIKey of N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-2-[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]acetamide?
The InChIKey is FUOYUFXOMLRKFR-HIFRSBDPSA-N. The full InChI is InChI=1S/C15H23N3O4S/c1-11-8-12(17-22-11)13-4-3-6-18(13)9-14(19)16-15(2)5-7-23(20,21)10-15/h8,13H,3-7,9-10H2,1-2H3,(H,16,19)/t13-,15+/m1/s1.
What are the key properties of N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-2-[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]acetamide?
N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-2-[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]acetamide has a molecular weight of 341.43 g/mol, XLogP of 0.81, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-2-[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 30803881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).