2-(3-methyl-1,2-oxazol-5-yl)-N-[(3R,4S)-1-methylsulfonyl-4-propylpyrrolidin-3-yl]acetamide

C14H23N3O4S — CID 72939147

IUPAC2-(3-methyl-1,2-oxazol-5-yl)-N-[(3R,4S)-1-methylsulfonyl-4-propylpyrrolidin-3-yl]acetamide
SMILESCCC[C@H]1CN(S(C)(=O)=O)C[C@@H]1NC(=O)Cc1cc(C)no1
InChIInChI=1S/C14H23N3O4S/c1-4-5-11-8-17(22(3,19)20)9-13(11)15-14(18)7-12-6-10(2)16-21-12/h6,11,13H,4-5,7-9H2,1-3H3,(H,15,18)/t11-,13-/m0/s1
InChIKeyNAPXJDFBGKADMV-AAEUAGOBSA-N
MW329.42 g/mol
LogP0.70
Rot. Bonds6

About 2-(3-methyl-1,2-oxazol-5-yl)-N-[(3R,4S)-1-methylsulfonyl-4-propylpyrrolidin-3-yl]acetamide

2-(3-methyl-1,2-oxazol-5-yl)-N-[(3R,4S)-1-methylsulfonyl-4-propylpyrrolidin-3-yl]acetamide (PubChem CID 72939147) has the molecular formula C14H23N3O4S and a molecular weight of 329.42 g/mol. Its IUPAC name is 2-(3-methyl-1,2-oxazol-5-yl)-N-[(3R,4S)-1-methylsulfonyl-4-propylpyrrolidin-3-yl]acetamide.

Molecular Properties

Compound Name2-(3-methyl-1,2-oxazol-5-yl)-N-[(3R,4S)-1-methylsulfonyl-4-propylpyrrolidin-3-yl]acetamide
PubChem CID72939147
Molecular FormulaC14H23N3O4S
Molecular Weight329.42 g/mol
Exact Mass329.14
IUPAC Name2-(3-methyl-1,2-oxazol-5-yl)-N-[(3R,4S)-1-methylsulfonyl-4-propylpyrrolidin-3-yl]acetamide
SMILESCCC[C@H]1CN(S(C)(=O)=O)C[C@@H]1NC(=O)Cc1cc(C)no1
InChIInChI=1S/C14H23N3O4S/c1-4-5-11-8-17(22(3,19)20)9-13(11)15-14(18)7-12-6-10(2)16-21-12/h6,11,13H,4-5,7-9H2,1-3H3,(H,15,18)/t11-,13-/m0/s1
InChIKeyNAPXJDFBGKADMV-AAEUAGOBSA-N
XLogP0.70
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3R,4R)-4-ethoxy-1-methylpyrrolidin-3-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 133266460
1-(methoxymethyl)-N-[(3R,4S)-1-[(3-methyl-1,2-oxazol-5-yl)methyl]-4-propylpyrrolidin-3-yl]cyclobutane-1-carboxamide;hydrochloride
CID 154899419
1,6-dimethyl-N-[(3R,4S)-1-methylsulfonyl-4-propylpyrrolidin-3-yl]-2-oxopyridine-3-carboxamide
CID 72862071
1-methyl-N-[(3R,4S)-1-methylsulfonyl-4-propylpyrrolidin-3-yl]-2-oxopyridine-4-carboxamide
CID 72927676
(2S,4R)-1-cyclopentyl-N,N-diethyl-4-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]pyrrolidine-2-carboxamide
CID 72852321
N-[(3R)-1-(benzenesulfonyl)azepan-3-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 96580597
2-(3-methyl-1,2-oxazol-5-yl)acetohydrazide;hydrochloride
CID 66651040
2-(5-methylpyrazol-1-yl)-N-[(3S,4R)-1-(2-methylsulfonylethyl)-4-propylpyrrolidin-3-yl]acetamide
CID 133117836
2-(3-methyl-1,2-oxazol-5-yl)-N-[1-(3-methylphenyl)-5-oxopyrrolidin-3-yl]acetamide
CID 91768696
2-methoxy-N-[(3S,4R)-1-(5-methyl-1,2,4-oxadiazol-3-yl)-4-propylpyrrolidin-3-yl]acetamide
CID 133109682
N-[(3aR,5S,6S,7aS)-2-[(3-ethyl-1,2-oxazol-5-yl)methyl]-6-hydroxy-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-yl]-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 172673354
N-[(1R,5S,6R,7R)-7-ethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 91797099

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-1,2-oxazol-5-yl)-N-[(3R,4S)-1-methylsulfonyl-4-propylpyrrolidin-3-yl]acetamide?
The IUPAC name of 2-(3-methyl-1,2-oxazol-5-yl)-N-[(3R,4S)-1-methylsulfonyl-4-propylpyrrolidin-3-yl]acetamide (CID 72939147) is 2-(3-methyl-1,2-oxazol-5-yl)-N-[(3R,4S)-1-methylsulfonyl-4-propylpyrrolidin-3-yl]acetamide.
What is the SMILES notation for 2-(3-methyl-1,2-oxazol-5-yl)-N-[(3R,4S)-1-methylsulfonyl-4-propylpyrrolidin-3-yl]acetamide?
The canonical SMILES for 2-(3-methyl-1,2-oxazol-5-yl)-N-[(3R,4S)-1-methylsulfonyl-4-propylpyrrolidin-3-yl]acetamide is CCC[C@H]1CN(S(C)(=O)=O)C[C@@H]1NC(=O)Cc1cc(C)no1.
What is the InChIKey of 2-(3-methyl-1,2-oxazol-5-yl)-N-[(3R,4S)-1-methylsulfonyl-4-propylpyrrolidin-3-yl]acetamide?
The InChIKey is NAPXJDFBGKADMV-AAEUAGOBSA-N. The full InChI is InChI=1S/C14H23N3O4S/c1-4-5-11-8-17(22(3,19)20)9-13(11)15-14(18)7-12-6-10(2)16-21-12/h6,11,13H,4-5,7-9H2,1-3H3,(H,15,18)/t11-,13-/m0/s1.
What are the key properties of 2-(3-methyl-1,2-oxazol-5-yl)-N-[(3R,4S)-1-methylsulfonyl-4-propylpyrrolidin-3-yl]acetamide?
2-(3-methyl-1,2-oxazol-5-yl)-N-[(3R,4S)-1-methylsulfonyl-4-propylpyrrolidin-3-yl]acetamide has a molecular weight of 329.42 g/mol, XLogP of 0.70, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-1,2-oxazol-5-yl)-N-[(3R,4S)-1-methylsulfonyl-4-propylpyrrolidin-3-yl]acetamide is sourced from PubChem (CID 72939147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).