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

C11H15N3O4S — CID 106370676

IUPAC5-[[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]methyl]furan-2-sulfonamide
SMILESCc1nc(CNCc2ccc(S(N)(=O)=O)o2)oc1C
InChIInChI=1S/C11H15N3O4S/c1-7-8(2)17-10(14-7)6-13-5-9-3-4-11(18-9)19(12,15)16/h3-4,13H,5-6H2,1-2H3,(H2,12,15,16)
InChIKeyXNFMMSIROHKUEW-UHFFFAOYSA-N
MW285.32 g/mol
LogP0.82
Rot. Bonds5

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

5-[[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]methyl]furan-2-sulfonamide (PubChem CID 106370676) has the molecular formula C11H15N3O4S and a molecular weight of 285.32 g/mol. Its IUPAC name is 5-[[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]methyl]furan-2-sulfonamide.

Molecular Properties

Compound Name5-[[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]methyl]furan-2-sulfonamide
PubChem CID106370676
Molecular FormulaC11H15N3O4S
Molecular Weight285.32 g/mol
Exact Mass285.08
IUPAC Name5-[[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]methyl]furan-2-sulfonamide
SMILESCc1nc(CNCc2ccc(S(N)(=O)=O)o2)oc1C
InChIInChI=1S/C11H15N3O4S/c1-7-8(2)17-10(14-7)6-13-5-9-3-4-11(18-9)19(12,15)16/h3-4,13H,5-6H2,1-2H3,(H2,12,15,16)
InChIKeyXNFMMSIROHKUEW-UHFFFAOYSA-N
XLogP0.82
TPSA111.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4,5-dibromofuran-2-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]methanamine
CID 106370288
5-[[(3-methyl-2-propan-2-ylbutyl)amino]methyl]furan-2-sulfonamide
CID 102904622
5-[[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]methyl]furan-2-sulfonamide
CID 106039792
5-[(4-hydroxybutylamino)methyl]furan-2-sulfonamide
CID 106841053
2-[[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]methyl]thiophen-3-amine
CID 106370731
5-[(1H-benzimidazol-2-ylmethylamino)methyl]furan-2-sulfonamide
CID 79013694
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(2,3,6-trichlorophenyl)methanamine
CID 102673162
5-[(2-methylsulfinylpropylamino)methyl]furan-2-sulfonamide
CID 113484035
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-thiophen-2-ylmethanamine
CID 60972826
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(6-methyl-2-pyridinyl)methanamine
CID 62308041
5-[[(5-hydroxy-4-methylpentyl)amino]methyl]furan-2-sulfonamide
CID 106158296
2-[(5-sulfamoylfuran-2-yl)methylamino]ethyl carbamate
CID 83210287

Frequently Asked Questions

What is the IUPAC name of 5-[[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]methyl]furan-2-sulfonamide?
The IUPAC name of 5-[[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]methyl]furan-2-sulfonamide (CID 106370676) is 5-[[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]methyl]furan-2-sulfonamide.
What is the SMILES notation for 5-[[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]methyl]furan-2-sulfonamide?
The canonical SMILES for 5-[[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]methyl]furan-2-sulfonamide is Cc1nc(CNCc2ccc(S(N)(=O)=O)o2)oc1C.
What is the InChIKey of 5-[[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]methyl]furan-2-sulfonamide?
The InChIKey is XNFMMSIROHKUEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4S/c1-7-8(2)17-10(14-7)6-13-5-9-3-4-11(18-9)19(12,15)16/h3-4,13H,5-6H2,1-2H3,(H2,12,15,16).
What are the key properties of 5-[[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]methyl]furan-2-sulfonamide?
5-[[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]methyl]furan-2-sulfonamide has a molecular weight of 285.32 g/mol, XLogP of 0.82, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]methyl]furan-2-sulfonamide is sourced from PubChem (CID 106370676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).