N-(3-butoxypropyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide

C12H22N2O4S — CID 32937382

IUPACN-(3-butoxypropyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCCCCOCCCNS(=O)(=O)c1c(C)noc1C
InChIInChI=1S/C12H22N2O4S/c1-4-5-8-17-9-6-7-13-19(15,16)12-10(2)14-18-11(12)3/h13H,4-9H2,1-3H3
InChIKeyHBMSECHLKBORNI-UHFFFAOYSA-N
MW290.38 g/mol
LogP1.78
Rot. Bonds9

About N-(3-butoxypropyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide

N-(3-butoxypropyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide (PubChem CID 32937382) has the molecular formula C12H22N2O4S and a molecular weight of 290.38 g/mol. Its IUPAC name is N-(3-butoxypropyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound NameN-(3-butoxypropyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
PubChem CID32937382
Molecular FormulaC12H22N2O4S
Molecular Weight290.38 g/mol
Exact Mass290.13
IUPAC NameN-(3-butoxypropyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCCCCOCCCNS(=O)(=O)c1c(C)noc1C
InChIInChI=1S/C12H22N2O4S/c1-4-5-8-17-9-6-7-13-19(15,16)12-10(2)14-18-11(12)3/h13H,4-9H2,1-3H3
InChIKeyHBMSECHLKBORNI-UHFFFAOYSA-N
XLogP1.78
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.38
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(3-butoxypropyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide 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-(2-ethoxyethyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 3452396
N-(3-cyclopentyloxypropyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 48945511
N-[3-(4-fluorophenoxy)propyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 110288279
3,5-dimethyl-N-[2-(4-propylphenoxy)ethyl]-1,2-oxazole-4-sulfonamide
CID 100564276
3,5-dimethyl-N-[2-(methylamino)ethyl]-1,2-oxazole-4-sulfonamide;hydrochloride
CID 119972982
3,5-dimethyl-N-(3-sulfamoylpropyl)-1,2-oxazole-4-sulfonamide
CID 61131991
N-(6-chlorohexyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 114008819
N-[3-(2-fluorophenoxy)propyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 39666367
N-(2-aminoethyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide;hydrochloride
CID 119960057
3,5-dimethyl-N-(3-pyrrolidin-1-ylpropyl)-1,2-oxazole-4-sulfonamide
CID 3765769
3,5-dimethyl-N-[2-(4-propylphenyl)ethyl]-1,2-oxazole-4-sulfonamide
CID 110787816
N-[4-(4-methoxyphenyl)butyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 110288844

Frequently Asked Questions

What is the IUPAC name of N-(3-butoxypropyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The IUPAC name of N-(3-butoxypropyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide (CID 32937382) is N-(3-butoxypropyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for N-(3-butoxypropyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The canonical SMILES for N-(3-butoxypropyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide is CCCCOCCCNS(=O)(=O)c1c(C)noc1C.
What is the InChIKey of N-(3-butoxypropyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The InChIKey is HBMSECHLKBORNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4S/c1-4-5-8-17-9-6-7-13-19(15,16)12-10(2)14-18-11(12)3/h13H,4-9H2,1-3H3.
What are the key properties of N-(3-butoxypropyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
N-(3-butoxypropyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide has a molecular weight of 290.38 g/mol, XLogP of 1.78, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-butoxypropyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 32937382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).