5-[(tert-butylamino)methyl]-N-(1,2-oxazol-3-ylmethyl)furan-2-sulfonamide

C13H19N3O4S — CID 81176972

IUPAC5-[(tert-butylamino)methyl]-N-(1,2-oxazol-3-ylmethyl)furan-2-sulfonamide
SMILESCC(C)(C)NCc1ccc(S(=O)(=O)NCc2ccon2)o1
InChIInChI=1S/C13H19N3O4S/c1-13(2,3)14-9-11-4-5-12(20-11)21(17,18)15-8-10-6-7-19-16-10/h4-7,14-15H,8-9H2,1-3H3
InChIKeyYMZJZQZIAIIFLZ-UHFFFAOYSA-N
MW313.38 g/mol
LogP1.63
Rot. Bonds6

About 5-[(tert-butylamino)methyl]-N-(1,2-oxazol-3-ylmethyl)furan-2-sulfonamide

5-[(tert-butylamino)methyl]-N-(1,2-oxazol-3-ylmethyl)furan-2-sulfonamide (PubChem CID 81176972) has the molecular formula C13H19N3O4S and a molecular weight of 313.38 g/mol. Its IUPAC name is 5-[(tert-butylamino)methyl]-N-(1,2-oxazol-3-ylmethyl)furan-2-sulfonamide.

Molecular Properties

Compound Name5-[(tert-butylamino)methyl]-N-(1,2-oxazol-3-ylmethyl)furan-2-sulfonamide
PubChem CID81176972
Molecular FormulaC13H19N3O4S
Molecular Weight313.38 g/mol
Exact Mass313.11
IUPAC Name5-[(tert-butylamino)methyl]-N-(1,2-oxazol-3-ylmethyl)furan-2-sulfonamide
SMILESCC(C)(C)NCc1ccc(S(=O)(=O)NCc2ccon2)o1
InChIInChI=1S/C13H19N3O4S/c1-13(2,3)14-9-11-4-5-12(20-11)21(17,18)15-8-10-6-7-19-16-10/h4-7,14-15H,8-9H2,1-3H3
InChIKeyYMZJZQZIAIIFLZ-UHFFFAOYSA-N
XLogP1.63
TPSA97.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-furylmethyl)-1-({5-[(E)-2-(2-furyl)vinyl]-3-methylisoxazol-4-yl}sulfonyl)piperidine-4-carboxamide
CID 5771493
1-[[5-[(E)-2-(dimethylamino)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]-N-(furan-2-ylmethyl)piperidine-3-carboxamide
CID 5308063
N,N-dimethyl-5-[[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methyl]furan-2-sulfonamide
CID 53500063
2-[(3R,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-ethylpiperidin-4-yl]-N-(furan-2-ylmethyl)acetamide
CID 11912470
N-((1-(furan-2-ylmethyl)piperidin-4-yl)methyl)-3,5-dimethylisoxazole-4-sulfonamide
CID 45559095
2-{1-[(3,5-Dimethyl-1,2-oxazol-4-YL)sulfonyl]piperidin-4-YL}-N-[(furan-2-YL)methyl]acetamide
CID 53118686
2-{1-[(3,5-Dimethyl-1,2-oxazol-4-YL)sulfonyl]piperidin-4-YL}-N-[(furan-2-YL)methyl]propanamide
CID 53118738
(3,5-dimethyl-4-isoxazolylsulfonyl)[(S)-2-(2-furyl)-2-morpholinoethyl]amine
CID 93157754
6-(furan-2-yl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 72046753
N-(furan-2-ylmethyl)-N-(2-methoxyethyl)-1-(3-methyl-1,2-oxazol-5-yl)methanesulfonamide
CID 72120588
3-[[4-[(5-Ethylfuran-2-yl)methyl]piperazin-1-yl]sulfonylmethyl]-1,2-oxazole
CID 84593674
N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 93159863

Frequently Asked Questions

What is the IUPAC name of 5-[(tert-butylamino)methyl]-N-(1,2-oxazol-3-ylmethyl)furan-2-sulfonamide?
The IUPAC name of 5-[(tert-butylamino)methyl]-N-(1,2-oxazol-3-ylmethyl)furan-2-sulfonamide (CID 81176972) is 5-[(tert-butylamino)methyl]-N-(1,2-oxazol-3-ylmethyl)furan-2-sulfonamide.
What is the SMILES notation for 5-[(tert-butylamino)methyl]-N-(1,2-oxazol-3-ylmethyl)furan-2-sulfonamide?
The canonical SMILES for 5-[(tert-butylamino)methyl]-N-(1,2-oxazol-3-ylmethyl)furan-2-sulfonamide is CC(C)(C)NCc1ccc(S(=O)(=O)NCc2ccon2)o1.
What is the InChIKey of 5-[(tert-butylamino)methyl]-N-(1,2-oxazol-3-ylmethyl)furan-2-sulfonamide?
The InChIKey is YMZJZQZIAIIFLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4S/c1-13(2,3)14-9-11-4-5-12(20-11)21(17,18)15-8-10-6-7-19-16-10/h4-7,14-15H,8-9H2,1-3H3.
What are the key properties of 5-[(tert-butylamino)methyl]-N-(1,2-oxazol-3-ylmethyl)furan-2-sulfonamide?
5-[(tert-butylamino)methyl]-N-(1,2-oxazol-3-ylmethyl)furan-2-sulfonamide has a molecular weight of 313.38 g/mol, XLogP of 1.63, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(tert-butylamino)methyl]-N-(1,2-oxazol-3-ylmethyl)furan-2-sulfonamide is sourced from PubChem (CID 81176972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).