(2R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(furan-2-yl)-N-methylpyrrolidine-1-sulfonamide

C15H21N3O4S — CID 97001983

IUPAC(2R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(furan-2-yl)-N-methylpyrrolidine-1-sulfonamide
SMILESCc1noc(C)c1CN(C)S(=O)(=O)N1CCC[C@@H]1c1ccco1
InChIInChI=1S/C15H21N3O4S/c1-11-13(12(2)22-16-11)10-17(3)23(19,20)18-8-4-6-14(18)15-7-5-9-21-15/h5,7,9,14H,4,6,8,10H2,1-3H3/t14-/m1/s1
InChIKeyKFAUFZHXNFXDIC-CQSZACIVSA-N
MW339.42 g/mol
LogP2.40
Rot. Bonds5

About (2R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(furan-2-yl)-N-methylpyrrolidine-1-sulfonamide

(2R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(furan-2-yl)-N-methylpyrrolidine-1-sulfonamide (PubChem CID 97001983) has the molecular formula C15H21N3O4S and a molecular weight of 339.42 g/mol. Its IUPAC name is (2R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(furan-2-yl)-N-methylpyrrolidine-1-sulfonamide.

Molecular Properties

Compound Name(2R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(furan-2-yl)-N-methylpyrrolidine-1-sulfonamide
PubChem CID97001983
Molecular FormulaC15H21N3O4S
Molecular Weight339.42 g/mol
Exact Mass339.13
IUPAC Name(2R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(furan-2-yl)-N-methylpyrrolidine-1-sulfonamide
SMILESCc1noc(C)c1CN(C)S(=O)(=O)N1CCC[C@@H]1c1ccco1
InChIInChI=1S/C15H21N3O4S/c1-11-13(12(2)22-16-11)10-17(3)23(19,20)18-8-4-6-14(18)15-7-5-9-21-15/h5,7,9,14H,4,6,8,10H2,1-3H3/t14-/m1/s1
InChIKeyKFAUFZHXNFXDIC-CQSZACIVSA-N
XLogP2.40
TPSA79.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(furan-2-yl)pyrrolidine-1-sulfonamide
CID 97002013
(2S)-2-(furan-2-yl)-1-(4-methylphenyl)sulfonylpyrrolidine
CID 51550818
N-methyl-2-(5-methylfuran-2-yl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidine-1-sulfonamide
CID 71929395
(2S)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-(furan-2-yl)-N-methylpyrrolidine-1-sulfonamide
CID 124866212
1-ethyl-4-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]sulfonyl-3,5-dimethylpyrazole
CID 95780301
4-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]sulfonyl-1,2-dimethylimidazole
CID 95770618
(2R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-sulfamoylpyrrolidine-2-carboxamide
CID 94649268
(2R)-N-ethyl-2-(furan-2-yl)-N-[[(3S)-oxolan-3-yl]methyl]pyrrolidine-1-sulfonamide
CID 96510791
(2R)-1-(benzenesulfonyl)-2-(furan-2-yl)pyrrolidine
CID 51550819
1-(benzenesulfonyl)-2-(furan-2-yl)pyrrolidine
CID 20895729
3-[2-(furan-2-yl)pyrrolidin-1-yl]-N,N-dimethylpropane-1-sulfonamide
CID 91837582
2-[(2S)-1-[(2R)-2-(furan-2-yl)pyrrolidin-1-yl]sulfonylpyrrolidin-2-yl]-1H-pyrrole
CID 96510711

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(furan-2-yl)-N-methylpyrrolidine-1-sulfonamide?
The IUPAC name of (2R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(furan-2-yl)-N-methylpyrrolidine-1-sulfonamide (CID 97001983) is (2R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(furan-2-yl)-N-methylpyrrolidine-1-sulfonamide.
What is the SMILES notation for (2R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(furan-2-yl)-N-methylpyrrolidine-1-sulfonamide?
The canonical SMILES for (2R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(furan-2-yl)-N-methylpyrrolidine-1-sulfonamide is Cc1noc(C)c1CN(C)S(=O)(=O)N1CCC[C@@H]1c1ccco1.
What is the InChIKey of (2R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(furan-2-yl)-N-methylpyrrolidine-1-sulfonamide?
The InChIKey is KFAUFZHXNFXDIC-CQSZACIVSA-N. The full InChI is InChI=1S/C15H21N3O4S/c1-11-13(12(2)22-16-11)10-17(3)23(19,20)18-8-4-6-14(18)15-7-5-9-21-15/h5,7,9,14H,4,6,8,10H2,1-3H3/t14-/m1/s1.
What are the key properties of (2R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(furan-2-yl)-N-methylpyrrolidine-1-sulfonamide?
(2R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(furan-2-yl)-N-methylpyrrolidine-1-sulfonamide has a molecular weight of 339.42 g/mol, XLogP of 2.40, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(furan-2-yl)-N-methylpyrrolidine-1-sulfonamide is sourced from PubChem (CID 97001983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).