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

C16H21N3O5S — CID 70780727

IUPACN-[(3S,4R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]acetamide
SMILESCC(=O)N[C@@H]1CN(S(=O)(=O)c2c(C)noc2C)C[C@H]1c1ccc(C)o1
InChIInChI=1S/C16H21N3O5S/c1-9-5-6-15(23-9)13-7-19(8-14(13)17-12(4)20)25(21,22)16-10(2)18-24-11(16)3/h5-6,13-14H,7-8H2,1-4H3,(H,17,20)/t13-,14-/m1/s1
InChIKeyJKLOQRDLSHEYOY-ZIAGYGMSSA-N
MW367.43 g/mol
LogP1.49
Rot. Bonds4

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

N-[(3S,4R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]acetamide (PubChem CID 70780727) has the molecular formula C16H21N3O5S and a molecular weight of 367.43 g/mol. Its IUPAC name is N-[(3S,4R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3S,4R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]acetamide
PubChem CID70780727
Molecular FormulaC16H21N3O5S
Molecular Weight367.43 g/mol
Exact Mass367.12
IUPAC NameN-[(3S,4R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]acetamide
SMILESCC(=O)N[C@@H]1CN(S(=O)(=O)c2c(C)noc2C)C[C@H]1c1ccc(C)o1
InChIInChI=1S/C16H21N3O5S/c1-9-5-6-15(23-9)13-7-19(8-14(13)17-12(4)20)25(21,22)16-10(2)18-24-11(16)3/h5-6,13-14H,7-8H2,1-4H3,(H,17,20)/t13-,14-/m1/s1
InChIKeyJKLOQRDLSHEYOY-ZIAGYGMSSA-N
XLogP1.49
TPSA105.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]azetidine-3-carboxylic acid
CID 62707263
N-[(3S,4R)-4-(5-methylfuran-2-yl)-1-(oxan-4-yl)pyrrolidin-3-yl]acetamide
CID 70722066
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]azetidin-3-amine
CID 65245066
N-[(3S,4R)-4-(5-methylfuran-2-yl)-1-(2-methylpyrimidin-4-yl)pyrrolidin-3-yl]acetamide
CID 70754891
1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]ethanone
CID 3345472
N-[4-(5-methylfuran-2-yl)-1-[4-(1,2,4-triazol-4-yl)benzoyl]pyrrolidin-3-yl]acetamide
CID 156604964
(3S,4R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N,N-dimethyl-4-(4-methylphenyl)pyrrolidin-3-amine
CID 72916390
1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]ethanone
CID 63846405
[(3R,4R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-thiophen-3-ylpyrrolidin-3-yl]methanol
CID 129399733
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-2-methylpropanamide
CID 110823350
(3R)-N-cycloheptyl-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxamide
CID 40502064
N-[(3S,4R)-1-[(2,4-difluorophenyl)methyl]-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]acetamide
CID 70773384

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]acetamide?
The IUPAC name of N-[(3S,4R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]acetamide (CID 70780727) is N-[(3S,4R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[(3S,4R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[(3S,4R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]acetamide is CC(=O)N[C@@H]1CN(S(=O)(=O)c2c(C)noc2C)C[C@H]1c1ccc(C)o1.
What is the InChIKey of N-[(3S,4R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]acetamide?
The InChIKey is JKLOQRDLSHEYOY-ZIAGYGMSSA-N. The full InChI is InChI=1S/C16H21N3O5S/c1-9-5-6-15(23-9)13-7-19(8-14(13)17-12(4)20)25(21,22)16-10(2)18-24-11(16)3/h5-6,13-14H,7-8H2,1-4H3,(H,17,20)/t13-,14-/m1/s1.
What are the key properties of N-[(3S,4R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]acetamide?
N-[(3S,4R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]acetamide has a molecular weight of 367.43 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 70780727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).