N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-(methylaminomethyl)furan-2-sulfonamide

C12H17N3O4S — CID 106377727

IUPACN-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-(methylaminomethyl)furan-2-sulfonamide
SMILESCCc1cnc(CNS(=O)(=O)c2ccc(CNC)o2)o1
InChIInChI=1S/C12H17N3O4S/c1-3-9-7-14-11(18-9)8-15-20(16,17)12-5-4-10(19-12)6-13-2/h4-5,7,13,15H,3,6,8H2,1-2H3
InChIKeyRWLRRAPSWFLDFS-UHFFFAOYSA-N
MW299.35 g/mol
LogP1.03
Rot. Bonds7

About N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-(methylaminomethyl)furan-2-sulfonamide

N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-(methylaminomethyl)furan-2-sulfonamide (PubChem CID 106377727) has the molecular formula C12H17N3O4S and a molecular weight of 299.35 g/mol. Its IUPAC name is N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-(methylaminomethyl)furan-2-sulfonamide.

Molecular Properties

Compound NameN-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-(methylaminomethyl)furan-2-sulfonamide
PubChem CID106377727
Molecular FormulaC12H17N3O4S
Molecular Weight299.35 g/mol
Exact Mass299.09
IUPAC NameN-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-(methylaminomethyl)furan-2-sulfonamide
SMILESCCc1cnc(CNS(=O)(=O)c2ccc(CNC)o2)o1
InChIInChI=1S/C12H17N3O4S/c1-3-9-7-14-11(18-9)8-15-20(16,17)12-5-4-10(19-12)6-13-2/h4-5,7,13,15H,3,6,8H2,1-2H3
InChIKeyRWLRRAPSWFLDFS-UHFFFAOYSA-N
XLogP1.03
TPSA97.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-(methylaminomethyl)benzenesulfonamide
CID 106373721
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106378067
6-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyridine-3-sulfonamide
CID 106368950
2-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-fluorobenzenesulfonamide
CID 106368938
3-amino-2,4-dichloro-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
CID 106368958
2-chloro-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-(hydroxymethyl)benzenesulfonamide
CID 106377845
5-amino-2-ethyl-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
CID 106369002
4-(2-aminoethyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
CID 106373743
4-amino-2-cyano-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
CID 106368933
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-fluoro-4-(hydroxymethyl)benzenesulfonamide
CID 106377860
4-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-fluorobenzenesulfonamide
CID 106368906
5-amino-2-bromo-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
CID 106369008

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-(methylaminomethyl)furan-2-sulfonamide?
The IUPAC name of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-(methylaminomethyl)furan-2-sulfonamide (CID 106377727) is N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-(methylaminomethyl)furan-2-sulfonamide.
What is the SMILES notation for N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-(methylaminomethyl)furan-2-sulfonamide?
The canonical SMILES for N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-(methylaminomethyl)furan-2-sulfonamide is CCc1cnc(CNS(=O)(=O)c2ccc(CNC)o2)o1.
What is the InChIKey of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-(methylaminomethyl)furan-2-sulfonamide?
The InChIKey is RWLRRAPSWFLDFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4S/c1-3-9-7-14-11(18-9)8-15-20(16,17)12-5-4-10(19-12)6-13-2/h4-5,7,13,15H,3,6,8H2,1-2H3.
What are the key properties of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-(methylaminomethyl)furan-2-sulfonamide?
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-(methylaminomethyl)furan-2-sulfonamide has a molecular weight of 299.35 g/mol, XLogP of 1.03, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-(methylaminomethyl)furan-2-sulfonamide is sourced from PubChem (CID 106377727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).