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

C12H14FN3O3S — CID 106368929

IUPAC3-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-fluorobenzenesulfonamide
SMILESCCc1cnc(CNS(=O)(=O)c2ccc(F)c(N)c2)o1
InChIInChI=1S/C12H14FN3O3S/c1-2-8-6-15-12(19-8)7-16-20(17,18)9-3-4-10(13)11(14)5-9/h3-6,16H,2,7,14H2,1H3
InChIKeyJTARXJBJLIGHQC-UHFFFAOYSA-N
MW299.33 g/mol
LogP1.44
Rot. Bonds5

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

3-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-fluorobenzenesulfonamide (PubChem CID 106368929) has the molecular formula C12H14FN3O3S and a molecular weight of 299.33 g/mol. Its IUPAC name is 3-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-fluorobenzenesulfonamide
PubChem CID106368929
Molecular FormulaC12H14FN3O3S
Molecular Weight299.33 g/mol
Exact Mass299.07
IUPAC Name3-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-fluorobenzenesulfonamide
SMILESCCc1cnc(CNS(=O)(=O)c2ccc(F)c(N)c2)o1
InChIInChI=1S/C12H14FN3O3S/c1-2-8-6-15-12(19-8)7-16-20(17,18)9-3-4-10(13)11(14)5-9/h3-6,16H,2,7,14H2,1H3
InChIKeyJTARXJBJLIGHQC-UHFFFAOYSA-N
XLogP1.44
TPSA98.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-fluorobenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-1-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]-2,3-dihydroindole-6-sulfonamide
CID 72126072
N-[4-fluoro-3-[(4-fluorophenyl)sulfamoyl]phenyl]-1,3-oxazole-2-carboxamide
CID 166755207
3-[(5-Tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-5-fluoroaniline
CID 64284173
2-fluoro-5-methylsulfonyl-N-(1,3-oxazol-5-ylmethyl)aniline
CID 65966556
N-ethyl-3-fluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
CID 75435457
3-fluoro-4-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-5-nitrobenzenesulfonamide
CID 75510143
4-(difluoromethylsulfonyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]aniline
CID 75515224
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-6-(trifluoromethyl)pyridine-3-sulfonamide
CID 75519639
N-(4-fluorophenyl)-5-methyl-1,3-oxazole-2-carboxamide
CID 84468110
N-(2-fluorophenyl)-5-methyl-1,3-oxazole-2-carboxamide
CID 84468147
N-(3-fluorophenyl)-5-methyl-1,3-oxazole-2-carboxamide
CID 84579341
2,4,5-trifluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]aniline
CID 86786151

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-fluorobenzenesulfonamide?
The IUPAC name of 3-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-fluorobenzenesulfonamide (CID 106368929) is 3-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-fluorobenzenesulfonamide.
What is the SMILES notation for 3-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-fluorobenzenesulfonamide?
The canonical SMILES for 3-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-fluorobenzenesulfonamide is CCc1cnc(CNS(=O)(=O)c2ccc(F)c(N)c2)o1.
What is the InChIKey of 3-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-fluorobenzenesulfonamide?
The InChIKey is JTARXJBJLIGHQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O3S/c1-2-8-6-15-12(19-8)7-16-20(17,18)9-3-4-10(13)11(14)5-9/h3-6,16H,2,7,14H2,1H3.
What are the key properties of 3-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-fluorobenzenesulfonamide?
3-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-fluorobenzenesulfonamide has a molecular weight of 299.33 g/mol, XLogP of 1.44, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 106368929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).