5-amino-2-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-N-methylbenzenesulfonamide

C13H18N4O3S — CID 106369551

IUPAC5-amino-2-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-N-methylbenzenesulfonamide
SMILESCCc1cnc(CNc2ccc(N)cc2S(=O)(=O)NC)o1
InChIInChI=1S/C13H18N4O3S/c1-3-10-7-17-13(20-10)8-16-11-5-4-9(14)6-12(11)21(18,19)15-2/h4-7,15-16H,3,8,14H2,1-2H3
InChIKeyMRUVIXJFTFFPJE-UHFFFAOYSA-N
MW310.38 g/mol
LogP1.34
Rot. Bonds6

About 5-amino-2-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-N-methylbenzenesulfonamide

5-amino-2-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-N-methylbenzenesulfonamide (PubChem CID 106369551) has the molecular formula C13H18N4O3S and a molecular weight of 310.38 g/mol. Its IUPAC name is 5-amino-2-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-N-methylbenzenesulfonamide
PubChem CID106369551
Molecular FormulaC13H18N4O3S
Molecular Weight310.38 g/mol
Exact Mass310.11
IUPAC Name5-amino-2-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-N-methylbenzenesulfonamide
SMILESCCc1cnc(CNc2ccc(N)cc2S(=O)(=O)NC)o1
InChIInChI=1S/C13H18N4O3S/c1-3-10-7-17-13(20-10)8-16-11-5-4-9(14)6-12(11)21(18,19)15-2/h4-7,15-16H,3,8,14H2,1-2H3
InChIKeyMRUVIXJFTFFPJE-UHFFFAOYSA-N
XLogP1.34
TPSA110.25 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-4-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-N-methylbenzenesulfonamide
CID 106369348
5-amino-2-ethyl-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
CID 106369002
5-amino-2-bromo-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
CID 106369008
5-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-methoxybenzenesulfonamide
CID 106368983
4-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-fluorobenzenesulfonamide
CID 106368906
1-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-fluorobenzene-1,2-diamine
CID 114179972
4-amino-2-cyano-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
CID 106368933
5-amino-2-(1H-imidazol-2-ylmethylamino)-N-methylbenzenesulfonamide
CID 103287114
3-amino-4-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-N,N-dimethylbenzamide
CID 106369571
5-amino-N-methyl-2-[(2-methylcyclopropyl)methylamino]benzenesulfonamide
CID 103287354
5-amino-2-[(4-fluorophenyl)methylamino]-N-methylbenzenesulfonamide
CID 103286616
5-amino-2-[(4-chlorophenyl)methylamino]-N-methylbenzenesulfonamide
CID 103286589

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-N-methylbenzenesulfonamide?
The IUPAC name of 5-amino-2-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-N-methylbenzenesulfonamide (CID 106369551) is 5-amino-2-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-N-methylbenzenesulfonamide.
What is the SMILES notation for 5-amino-2-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-N-methylbenzenesulfonamide?
The canonical SMILES for 5-amino-2-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-N-methylbenzenesulfonamide is CCc1cnc(CNc2ccc(N)cc2S(=O)(=O)NC)o1.
What is the InChIKey of 5-amino-2-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-N-methylbenzenesulfonamide?
The InChIKey is MRUVIXJFTFFPJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3S/c1-3-10-7-17-13(20-10)8-16-11-5-4-9(14)6-12(11)21(18,19)15-2/h4-7,15-16H,3,8,14H2,1-2H3.
What are the key properties of 5-amino-2-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-N-methylbenzenesulfonamide?
5-amino-2-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-N-methylbenzenesulfonamide has a molecular weight of 310.38 g/mol, XLogP of 1.34, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-N-methylbenzenesulfonamide is sourced from PubChem (CID 106369551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).