(3S,4R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N,N-dimethyl-4-(4-methylphenyl)pyrrolidin-3-amine

C18H25N3O3S — CID 72916390

IUPAC(3S,4R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N,N-dimethyl-4-(4-methylphenyl)pyrrolidin-3-amine
SMILESCc1ccc([C@@H]2CN(S(=O)(=O)c3c(C)noc3C)C[C@H]2N(C)C)cc1
InChIInChI=1S/C18H25N3O3S/c1-12-6-8-15(9-7-12)16-10-21(11-17(16)20(4)5)25(22,23)18-13(2)19-24-14(18)3/h6-9,16-17H,10-11H2,1-5H3/t16-,17+/m0/s1
InChIKeyMZYFMOUYAXYHCK-DLBZAZTESA-N
MW363.48 g/mol
LogP2.32
Rot. Bonds4

About (3S,4R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N,N-dimethyl-4-(4-methylphenyl)pyrrolidin-3-amine

(3S,4R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N,N-dimethyl-4-(4-methylphenyl)pyrrolidin-3-amine (PubChem CID 72916390) has the molecular formula C18H25N3O3S and a molecular weight of 363.48 g/mol. Its IUPAC name is (3S,4R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N,N-dimethyl-4-(4-methylphenyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name(3S,4R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N,N-dimethyl-4-(4-methylphenyl)pyrrolidin-3-amine
PubChem CID72916390
Molecular FormulaC18H25N3O3S
Molecular Weight363.48 g/mol
Exact Mass363.16
IUPAC Name(3S,4R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N,N-dimethyl-4-(4-methylphenyl)pyrrolidin-3-amine
SMILESCc1ccc([C@@H]2CN(S(=O)(=O)c3c(C)noc3C)C[C@H]2N(C)C)cc1
InChIInChI=1S/C18H25N3O3S/c1-12-6-8-15(9-7-12)16-10-21(11-17(16)20(4)5)25(22,23)18-13(2)19-24-14(18)3/h6-9,16-17H,10-11H2,1-5H3/t16-,17+/m0/s1
InChIKeyMZYFMOUYAXYHCK-DLBZAZTESA-N
XLogP2.32
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.48
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]azetidin-3-amine
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1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]azetidine-3-carboxylic acid
CID 62707263
[(3R,4R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-thiophen-3-ylpyrrolidin-3-yl]methanol
CID 129399733
3,5-dimethyl-4-[[4-(4-methylphenyl)-1,4-diazepan-1-yl]sulfonyl]-1,2-oxazole
CID 75461716
(3aR,7aS)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-5-methyl-1,3,3a,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-4-one
CID 138381014
(3S,4S)-4-(1,3-benzodioxol-5-yl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-ol
CID 50965042
3,5-dimethyl-4-[[2-(6-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]sulfonyl]-1,2-oxazole
CID 126858185
N-[(3S,4R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]acetamide
CID 70780727
4-[3-(chloromethyl)pyrrolidin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
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4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
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4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-2-(4-methoxyphenyl)morpholine
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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N,N-dimethyl-4-(4-methylphenyl)pyrrolidin-3-amine?
The IUPAC name of (3S,4R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N,N-dimethyl-4-(4-methylphenyl)pyrrolidin-3-amine (CID 72916390) is (3S,4R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N,N-dimethyl-4-(4-methylphenyl)pyrrolidin-3-amine.
What is the SMILES notation for (3S,4R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N,N-dimethyl-4-(4-methylphenyl)pyrrolidin-3-amine?
The canonical SMILES for (3S,4R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N,N-dimethyl-4-(4-methylphenyl)pyrrolidin-3-amine is Cc1ccc([C@@H]2CN(S(=O)(=O)c3c(C)noc3C)C[C@H]2N(C)C)cc1.
What is the InChIKey of (3S,4R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N,N-dimethyl-4-(4-methylphenyl)pyrrolidin-3-amine?
The InChIKey is MZYFMOUYAXYHCK-DLBZAZTESA-N. The full InChI is InChI=1S/C18H25N3O3S/c1-12-6-8-15(9-7-12)16-10-21(11-17(16)20(4)5)25(22,23)18-13(2)19-24-14(18)3/h6-9,16-17H,10-11H2,1-5H3/t16-,17+/m0/s1.
What are the key properties of (3S,4R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N,N-dimethyl-4-(4-methylphenyl)pyrrolidin-3-amine?
(3S,4R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N,N-dimethyl-4-(4-methylphenyl)pyrrolidin-3-amine has a molecular weight of 363.48 g/mol, XLogP of 2.32, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N,N-dimethyl-4-(4-methylphenyl)pyrrolidin-3-amine is sourced from PubChem (CID 72916390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).