3-amino-4-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-N-methylbenzenesulfonamide

C13H18N4O3S — CID 106369348

IUPAC3-amino-4-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-N-methylbenzenesulfonamide
SMILESCCc1cnc(CNc2ccc(S(=O)(=O)NC)cc2N)o1
InChIInChI=1S/C13H18N4O3S/c1-3-9-7-17-13(20-9)8-16-12-5-4-10(6-11(12)14)21(18,19)15-2/h4-7,15-16H,3,8,14H2,1-2H3
InChIKeyHIRFBGPNVXLXST-UHFFFAOYSA-N
MW310.38 g/mol
LogP1.34
Rot. Bonds6

About 3-amino-4-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-N-methylbenzenesulfonamide

3-amino-4-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-N-methylbenzenesulfonamide (PubChem CID 106369348) has the molecular formula C13H18N4O3S and a molecular weight of 310.38 g/mol. Its IUPAC name is 3-amino-4-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-4-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-N-methylbenzenesulfonamide
PubChem CID106369348
Molecular FormulaC13H18N4O3S
Molecular Weight310.38 g/mol
Exact Mass310.11
IUPAC Name3-amino-4-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-N-methylbenzenesulfonamide
SMILESCCc1cnc(CNc2ccc(S(=O)(=O)NC)cc2N)o1
InChIInChI=1S/C13H18N4O3S/c1-3-9-7-17-13(20-9)8-16-12-5-4-10(6-11(12)14)21(18,19)15-2/h4-7,15-16H,3,8,14H2,1-2H3
InChIKeyHIRFBGPNVXLXST-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

5-amino-2-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-N-methylbenzenesulfonamide
CID 106369551
1-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-fluorobenzene-1,2-diamine
CID 114179972
3-amino-4-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-N,N-dimethylbenzamide
CID 106369571
3-amino-N-methyl-4-(1,2-oxazol-5-ylmethylamino)benzenesulfonamide
CID 106414398
3-amino-N-methyl-4-(pyridin-4-ylmethylamino)benzenesulfonamide
CID 43449150
6-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyridine-3-sulfonamide
CID 106368950
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-ethylsulfonylaniline
CID 103764564
3-amino-N-methyl-4-[(1-methylimidazol-2-yl)methylamino]benzenesulfonamide
CID 63293527
5-amino-2-ethyl-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
CID 106369002
3-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-fluoro-4-methylbenzenesulfonamide
CID 106368971
3-amino-N-methyl-4-(2-methylsulfonylethylamino)benzenesulfonamide
CID 54935258
3-amino-N-methyl-4-[(2,2,3,3-tetramethylcyclopropyl)methylamino]benzenesulfonamide
CID 79352658

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-N-methylbenzenesulfonamide?
The IUPAC name of 3-amino-4-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-N-methylbenzenesulfonamide (CID 106369348) is 3-amino-4-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-N-methylbenzenesulfonamide.
What is the SMILES notation for 3-amino-4-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-N-methylbenzenesulfonamide?
The canonical SMILES for 3-amino-4-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-N-methylbenzenesulfonamide is CCc1cnc(CNc2ccc(S(=O)(=O)NC)cc2N)o1.
What is the InChIKey of 3-amino-4-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-N-methylbenzenesulfonamide?
The InChIKey is HIRFBGPNVXLXST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3S/c1-3-9-7-17-13(20-9)8-16-12-5-4-10(6-11(12)14)21(18,19)15-2/h4-7,15-16H,3,8,14H2,1-2H3.
What are the key properties of 3-amino-4-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-N-methylbenzenesulfonamide?
3-amino-4-[(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 3-amino-4-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-N-methylbenzenesulfonamide is sourced from PubChem (CID 106369348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).