[5-(furan-2-yl)-1,2-oxazol-3-yl]-(3-methylsulfonylpyrrolidin-1-yl)methanone

C13H14N2O5S — CID 90584589

IUPAC[5-(furan-2-yl)-1,2-oxazol-3-yl]-(3-methylsulfonylpyrrolidin-1-yl)methanone
SMILESCS(=O)(=O)C1CCN(C(=O)c2cc(-c3ccco3)on2)C1
InChIInChI=1S/C13H14N2O5S/c1-21(17,18)9-4-5-15(8-9)13(16)10-7-12(20-14-10)11-3-2-6-19-11/h2-3,6-7,9H,4-5,8H2,1H3
InChIKeyNHXVWPKQQJXAJX-UHFFFAOYSA-N
MW310.33 g/mol
LogP1.19
Rot. Bonds3

About [5-(furan-2-yl)-1,2-oxazol-3-yl]-(3-methylsulfonylpyrrolidin-1-yl)methanone

[5-(furan-2-yl)-1,2-oxazol-3-yl]-(3-methylsulfonylpyrrolidin-1-yl)methanone (PubChem CID 90584589) has the molecular formula C13H14N2O5S and a molecular weight of 310.33 g/mol. Its IUPAC name is [5-(furan-2-yl)-1,2-oxazol-3-yl]-(3-methylsulfonylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name[5-(furan-2-yl)-1,2-oxazol-3-yl]-(3-methylsulfonylpyrrolidin-1-yl)methanone
PubChem CID90584589
Molecular FormulaC13H14N2O5S
Molecular Weight310.33 g/mol
Exact Mass310.06
IUPAC Name[5-(furan-2-yl)-1,2-oxazol-3-yl]-(3-methylsulfonylpyrrolidin-1-yl)methanone
SMILESCS(=O)(=O)C1CCN(C(=O)c2cc(-c3ccco3)on2)C1
InChIInChI=1S/C13H14N2O5S/c1-21(17,18)9-4-5-15(8-9)13(16)10-7-12(20-14-10)11-3-2-6-19-11/h2-3,6-7,9H,4-5,8H2,1H3
InChIKeyNHXVWPKQQJXAJX-UHFFFAOYSA-N
XLogP1.19
TPSA93.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[3-(benzenesulfonyl)pyrrolidin-1-yl]-[5-(furan-2-yl)-1,2-oxazol-3-yl]methanone
CID 90584854
furan-2-yl-(3-methylsulfonylpyrrolidin-1-yl)methanone
CID 71805486
[5-(furan-2-yl)-1,2-oxazol-3-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119493226
(3-aminopiperidin-1-yl)-[5-(furan-2-yl)-1,2-oxazol-3-yl]methanone;hydrochloride
CID 119381326
1-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]piperidine-3-carboxylic acid
CID 43171030
[3-(4-chlorophenyl)sulfonylazetidin-1-yl]-[5-(furan-2-yl)-1,2-oxazol-3-yl]methanone
CID 90594863
(3,5-dimethyl-4-phenylpiperazin-1-yl)-[5-(furan-2-yl)-1,2-oxazol-3-yl]methanone
CID 110616585
(4-amino-3,3-dimethylpiperidin-1-yl)-[5-(furan-2-yl)-1,2-oxazol-3-yl]methanone;hydrochloride
CID 120818638
[5-(furan-2-yl)-1,2-oxazol-3-yl]-[2-(4-methylphenyl)morpholin-4-yl]methanone
CID 121134791
[5-(furan-2-yl)-1,2-oxazol-3-yl]-[4-(4-methylpiperazine-1-carbonyl)piperazin-1-yl]methanone
CID 167750688
[5-(furan-2-yl)-1,2-oxazol-3-yl]-[3-(4-methoxyphenyl)azepan-1-yl]methanone
CID 121146878
N-[1-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]piperidin-4-yl]thiophene-2-sulfonamide
CID 33348830

Frequently Asked Questions

What is the IUPAC name of [5-(furan-2-yl)-1,2-oxazol-3-yl]-(3-methylsulfonylpyrrolidin-1-yl)methanone?
The IUPAC name of [5-(furan-2-yl)-1,2-oxazol-3-yl]-(3-methylsulfonylpyrrolidin-1-yl)methanone (CID 90584589) is [5-(furan-2-yl)-1,2-oxazol-3-yl]-(3-methylsulfonylpyrrolidin-1-yl)methanone.
What is the SMILES notation for [5-(furan-2-yl)-1,2-oxazol-3-yl]-(3-methylsulfonylpyrrolidin-1-yl)methanone?
The canonical SMILES for [5-(furan-2-yl)-1,2-oxazol-3-yl]-(3-methylsulfonylpyrrolidin-1-yl)methanone is CS(=O)(=O)C1CCN(C(=O)c2cc(-c3ccco3)on2)C1.
What is the InChIKey of [5-(furan-2-yl)-1,2-oxazol-3-yl]-(3-methylsulfonylpyrrolidin-1-yl)methanone?
The InChIKey is NHXVWPKQQJXAJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O5S/c1-21(17,18)9-4-5-15(8-9)13(16)10-7-12(20-14-10)11-3-2-6-19-11/h2-3,6-7,9H,4-5,8H2,1H3.
What are the key properties of [5-(furan-2-yl)-1,2-oxazol-3-yl]-(3-methylsulfonylpyrrolidin-1-yl)methanone?
[5-(furan-2-yl)-1,2-oxazol-3-yl]-(3-methylsulfonylpyrrolidin-1-yl)methanone has a molecular weight of 310.33 g/mol, XLogP of 1.19, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(furan-2-yl)-1,2-oxazol-3-yl]-(3-methylsulfonylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 90584589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).