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

C14H19N3O4S — CID 97002013

IUPAC(2R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(furan-2-yl)pyrrolidine-1-sulfonamide
SMILESCc1noc(C)c1CNS(=O)(=O)N1CCC[C@@H]1c1ccco1
InChIInChI=1S/C14H19N3O4S/c1-10-12(11(2)21-16-10)9-15-22(18,19)17-7-3-5-13(17)14-6-4-8-20-14/h4,6,8,13,15H,3,5,7,9H2,1-2H3/t13-/m1/s1
InChIKeyWYRSBWJBMLLMFV-CYBMUJFWSA-N
MW325.39 g/mol
LogP2.06
Rot. Bonds5

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

(2R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(furan-2-yl)pyrrolidine-1-sulfonamide (PubChem CID 97002013) has the molecular formula C14H19N3O4S and a molecular weight of 325.39 g/mol. Its IUPAC name is (2R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(furan-2-yl)pyrrolidine-1-sulfonamide.

Molecular Properties

Compound Name(2R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(furan-2-yl)pyrrolidine-1-sulfonamide
PubChem CID97002013
Molecular FormulaC14H19N3O4S
Molecular Weight325.39 g/mol
Exact Mass325.11
IUPAC Name(2R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(furan-2-yl)pyrrolidine-1-sulfonamide
SMILESCc1noc(C)c1CNS(=O)(=O)N1CCC[C@@H]1c1ccco1
InChIInChI=1S/C14H19N3O4S/c1-10-12(11(2)21-16-10)9-15-22(18,19)17-7-3-5-13(17)14-6-4-8-20-14/h4,6,8,13,15H,3,5,7,9H2,1-2H3/t13-/m1/s1
InChIKeyWYRSBWJBMLLMFV-CYBMUJFWSA-N
XLogP2.06
TPSA88.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 52.06
H-Bond Donors ≤ 51
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)-N-methylpyrrolidine-1-sulfonamide
CID 97001983
(2S)-2-(furan-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-sulfonamide
CID 96510754
(2R)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(furan-2-yl)pyrrolidine-1-sulfonamide
CID 96510725
N-[(1-cyclopropyltetrazol-5-yl)methyl]-2-(furan-2-yl)pyrrolidine-1-sulfonamide
CID 71872996
(2S)-2-(furan-2-yl)-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]pyrrolidine-1-sulfonamide
CID 96510995
(2S)-2-(furan-2-yl)-N-[(2R)-2-morpholin-4-ylpropyl]pyrrolidine-1-sulfonamide
CID 124865779
(2S)-2-(furan-2-yl)-1-(4-methylphenyl)sulfonylpyrrolidine
CID 51550818
1-ethyl-4-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]sulfonyl-3,5-dimethylpyrazole
CID 95780301
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,4-dihydro-1H-isoquinoline-2-sulfonamide
CID 75462254
4-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]sulfonyl-1,2-dimethylimidazole
CID 95770618
(2R)-1-(benzenesulfonyl)-2-(furan-2-yl)pyrrolidine
CID 51550819
1-(benzenesulfonyl)-2-(furan-2-yl)pyrrolidine
CID 20895729

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(furan-2-yl)pyrrolidine-1-sulfonamide?
The IUPAC name of (2R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(furan-2-yl)pyrrolidine-1-sulfonamide (CID 97002013) is (2R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(furan-2-yl)pyrrolidine-1-sulfonamide.
What is the SMILES notation for (2R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(furan-2-yl)pyrrolidine-1-sulfonamide?
The canonical SMILES for (2R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(furan-2-yl)pyrrolidine-1-sulfonamide is Cc1noc(C)c1CNS(=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)pyrrolidine-1-sulfonamide?
The InChIKey is WYRSBWJBMLLMFV-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H19N3O4S/c1-10-12(11(2)21-16-10)9-15-22(18,19)17-7-3-5-13(17)14-6-4-8-20-14/h4,6,8,13,15H,3,5,7,9H2,1-2H3/t13-/m1/s1.
What are the key properties of (2R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(furan-2-yl)pyrrolidine-1-sulfonamide?
(2R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(furan-2-yl)pyrrolidine-1-sulfonamide has a molecular weight of 325.39 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 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)pyrrolidine-1-sulfonamide is sourced from PubChem (CID 97002013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).