N-(3-aminophenyl)-1-(5-methyl-1,2-oxazol-3-yl)-N-propylmethanesulfonamide

C14H19N3O3S — CID 63230035

IUPACN-(3-aminophenyl)-1-(5-methyl-1,2-oxazol-3-yl)-N-propylmethanesulfonamide
SMILESCCCN(c1cccc(N)c1)S(=O)(=O)Cc1cc(C)on1
InChIInChI=1S/C14H19N3O3S/c1-3-7-17(14-6-4-5-12(15)9-14)21(18,19)10-13-8-11(2)20-16-13/h4-6,8-9H,3,7,10,15H2,1-2H3
InChIKeyWRUNQMMECFNOJV-UHFFFAOYSA-N
MW309.39 g/mol
LogP2.31
Rot. Bonds6

About N-(3-aminophenyl)-1-(5-methyl-1,2-oxazol-3-yl)-N-propylmethanesulfonamide

N-(3-aminophenyl)-1-(5-methyl-1,2-oxazol-3-yl)-N-propylmethanesulfonamide (PubChem CID 63230035) has the molecular formula C14H19N3O3S and a molecular weight of 309.39 g/mol. Its IUPAC name is N-(3-aminophenyl)-1-(5-methyl-1,2-oxazol-3-yl)-N-propylmethanesulfonamide.

Molecular Properties

Compound NameN-(3-aminophenyl)-1-(5-methyl-1,2-oxazol-3-yl)-N-propylmethanesulfonamide
PubChem CID63230035
Molecular FormulaC14H19N3O3S
Molecular Weight309.39 g/mol
Exact Mass309.11
IUPAC NameN-(3-aminophenyl)-1-(5-methyl-1,2-oxazol-3-yl)-N-propylmethanesulfonamide
SMILESCCCN(c1cccc(N)c1)S(=O)(=O)Cc1cc(C)on1
InChIInChI=1S/C14H19N3O3S/c1-3-7-17(14-6-4-5-12(15)9-14)21(18,19)10-13-8-11(2)20-16-13/h4-6,8-9H,3,7,10,15H2,1-2H3
InChIKeyWRUNQMMECFNOJV-UHFFFAOYSA-N
XLogP2.31
TPSA89.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(3-aminophenyl)-1-(5-methyl-1,2-oxazol-3-yl)-N-propylmethanesulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-aminophenyl)-1-(5-methyl-1,2-oxazol-3-yl)-N-propylmethanesulfonamide?
The IUPAC name of N-(3-aminophenyl)-1-(5-methyl-1,2-oxazol-3-yl)-N-propylmethanesulfonamide (CID 63230035) is N-(3-aminophenyl)-1-(5-methyl-1,2-oxazol-3-yl)-N-propylmethanesulfonamide.
What is the SMILES notation for N-(3-aminophenyl)-1-(5-methyl-1,2-oxazol-3-yl)-N-propylmethanesulfonamide?
The canonical SMILES for N-(3-aminophenyl)-1-(5-methyl-1,2-oxazol-3-yl)-N-propylmethanesulfonamide is CCCN(c1cccc(N)c1)S(=O)(=O)Cc1cc(C)on1.
What is the InChIKey of N-(3-aminophenyl)-1-(5-methyl-1,2-oxazol-3-yl)-N-propylmethanesulfonamide?
The InChIKey is WRUNQMMECFNOJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3S/c1-3-7-17(14-6-4-5-12(15)9-14)21(18,19)10-13-8-11(2)20-16-13/h4-6,8-9H,3,7,10,15H2,1-2H3.
What are the key properties of N-(3-aminophenyl)-1-(5-methyl-1,2-oxazol-3-yl)-N-propylmethanesulfonamide?
N-(3-aminophenyl)-1-(5-methyl-1,2-oxazol-3-yl)-N-propylmethanesulfonamide has a molecular weight of 309.39 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminophenyl)-1-(5-methyl-1,2-oxazol-3-yl)-N-propylmethanesulfonamide is sourced from PubChem (CID 63230035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).