3-[[4-[(5-ethylfuran-2-yl)methyl]piperazin-1-yl]sulfonylmethyl]-1,2-oxazole

C15H21N3O4S — CID 84593674

IUPAC3-[[4-[(5-ethylfuran-2-yl)methyl]piperazin-1-yl]sulfonylmethyl]-1,2-oxazole
SMILESCCc1ccc(CN2CCN(S(=O)(=O)Cc3ccon3)CC2)o1
InChIInChI=1S/C15H21N3O4S/c1-2-14-3-4-15(22-14)11-17-6-8-18(9-7-17)23(19,20)12-13-5-10-21-16-13/h3-5,10H,2,6-9,11-12H2,1H3
InChIKeyDUWLPTMKWZZDOI-UHFFFAOYSA-N
MW339.42 g/mol
LogP1.48
Rot. Bonds6

About 3-[[4-[(5-ethylfuran-2-yl)methyl]piperazin-1-yl]sulfonylmethyl]-1,2-oxazole

3-[[4-[(5-ethylfuran-2-yl)methyl]piperazin-1-yl]sulfonylmethyl]-1,2-oxazole (PubChem CID 84593674) has the molecular formula C15H21N3O4S and a molecular weight of 339.42 g/mol. Its IUPAC name is 3-[[4-[(5-ethylfuran-2-yl)methyl]piperazin-1-yl]sulfonylmethyl]-1,2-oxazole.

Molecular Properties

Compound Name3-[[4-[(5-ethylfuran-2-yl)methyl]piperazin-1-yl]sulfonylmethyl]-1,2-oxazole
PubChem CID84593674
Molecular FormulaC15H21N3O4S
Molecular Weight339.42 g/mol
Exact Mass339.13
IUPAC Name3-[[4-[(5-ethylfuran-2-yl)methyl]piperazin-1-yl]sulfonylmethyl]-1,2-oxazole
SMILESCCc1ccc(CN2CCN(S(=O)(=O)Cc3ccon3)CC2)o1
InChIInChI=1S/C15H21N3O4S/c1-2-14-3-4-15(22-14)11-17-6-8-18(9-7-17)23(19,20)12-13-5-10-21-16-13/h3-5,10H,2,6-9,11-12H2,1H3
InChIKeyDUWLPTMKWZZDOI-UHFFFAOYSA-N
XLogP1.48
TPSA79.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-dimethyl-5-[[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methyl]furan-2-sulfonamide
CID 53500063
N-((1-(furan-2-ylmethyl)piperidin-4-yl)methyl)-3,5-dimethylisoxazole-4-sulfonamide
CID 45559095
(3,5-dimethyl-4-isoxazolylsulfonyl)[(S)-2-(2-furyl)-2-morpholinoethyl]amine
CID 93157754
2-[(2S)-1-[(5-methylfuran-2-yl)methyl]-4-(1,2-oxazol-3-ylmethyl)piperazin-2-yl]ethanol
CID 28249216
N-(2-methoxyethyl)-N-[(5-methylfuran-2-yl)methyl]-1,2-oxazole-3-carboxamide
CID 71919164
N-(furan-2-ylmethyl)-N-(2-methoxyethyl)-1-(3-methyl-1,2-oxazol-5-yl)methanesulfonamide
CID 72120588
N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 93159863
N-[(1S)-1-(furan-2-yl)-2,2-dimethylpropyl]-1-(1,2-oxazol-3-yl)methanesulfonamide
CID 97318390
3-[[(2S)-2-(5-ethylfuran-2-yl)azepan-1-yl]sulfonylmethyl]-1,2-oxazole
CID 97575006
4-fluoro-N-(furan-2-ylmethyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzenesulfonamide
CID 38260611
2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-methylamino]-N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 38262706
N-(4-fluorophenyl)-N-(furan-2-ylmethyl)-1-(1,2-oxazol-3-yl)methanesulfonamide
CID 72120485

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[(5-ethylfuran-2-yl)methyl]piperazin-1-yl]sulfonylmethyl]-1,2-oxazole?
The IUPAC name of 3-[[4-[(5-ethylfuran-2-yl)methyl]piperazin-1-yl]sulfonylmethyl]-1,2-oxazole (CID 84593674) is 3-[[4-[(5-ethylfuran-2-yl)methyl]piperazin-1-yl]sulfonylmethyl]-1,2-oxazole.
What is the SMILES notation for 3-[[4-[(5-ethylfuran-2-yl)methyl]piperazin-1-yl]sulfonylmethyl]-1,2-oxazole?
The canonical SMILES for 3-[[4-[(5-ethylfuran-2-yl)methyl]piperazin-1-yl]sulfonylmethyl]-1,2-oxazole is CCc1ccc(CN2CCN(S(=O)(=O)Cc3ccon3)CC2)o1.
What is the InChIKey of 3-[[4-[(5-ethylfuran-2-yl)methyl]piperazin-1-yl]sulfonylmethyl]-1,2-oxazole?
The InChIKey is DUWLPTMKWZZDOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O4S/c1-2-14-3-4-15(22-14)11-17-6-8-18(9-7-17)23(19,20)12-13-5-10-21-16-13/h3-5,10H,2,6-9,11-12H2,1H3.
What are the key properties of 3-[[4-[(5-ethylfuran-2-yl)methyl]piperazin-1-yl]sulfonylmethyl]-1,2-oxazole?
3-[[4-[(5-ethylfuran-2-yl)methyl]piperazin-1-yl]sulfonylmethyl]-1,2-oxazole has a molecular weight of 339.42 g/mol, XLogP of 1.48, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[(5-ethylfuran-2-yl)methyl]piperazin-1-yl]sulfonylmethyl]-1,2-oxazole is sourced from PubChem (CID 84593674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).