4-(2,5-dimethyl-1,3-oxazol-4-yl)-N-(3-phenylpropyl)benzenesulfonamide

C20H22N2O3S — CID 110414948

IUPAC4-(2,5-dimethyl-1,3-oxazol-4-yl)-N-(3-phenylpropyl)benzenesulfonamide
SMILESCc1nc(-c2ccc(S(=O)(=O)NCCCc3ccccc3)cc2)c(C)o1
InChIInChI=1S/C20H22N2O3S/c1-15-20(22-16(2)25-15)18-10-12-19(13-11-18)26(23,24)21-14-6-9-17-7-4-3-5-8-17/h3-5,7-8,10-13,21H,6,9,14H2,1-2H3
InChIKeyBOCFNAQMXDNKJJ-UHFFFAOYSA-N
MW370.47 g/mol
LogP3.87
Rot. Bonds7

About 4-(2,5-dimethyl-1,3-oxazol-4-yl)-N-(3-phenylpropyl)benzenesulfonamide

4-(2,5-dimethyl-1,3-oxazol-4-yl)-N-(3-phenylpropyl)benzenesulfonamide (PubChem CID 110414948) has the molecular formula C20H22N2O3S and a molecular weight of 370.47 g/mol. Its IUPAC name is 4-(2,5-dimethyl-1,3-oxazol-4-yl)-N-(3-phenylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(2,5-dimethyl-1,3-oxazol-4-yl)-N-(3-phenylpropyl)benzenesulfonamide
PubChem CID110414948
Molecular FormulaC20H22N2O3S
Molecular Weight370.47 g/mol
Exact Mass370.14
IUPAC Name4-(2,5-dimethyl-1,3-oxazol-4-yl)-N-(3-phenylpropyl)benzenesulfonamide
SMILESCc1nc(-c2ccc(S(=O)(=O)NCCCc3ccccc3)cc2)c(C)o1
InChIInChI=1S/C20H22N2O3S/c1-15-20(22-16(2)25-15)18-10-12-19(13-11-18)26(23,24)21-14-6-9-17-7-4-3-5-8-17/h3-5,7-8,10-13,21H,6,9,14H2,1-2H3
InChIKeyBOCFNAQMXDNKJJ-UHFFFAOYSA-N
XLogP3.87
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(2,5-dimethyl-1,3-oxazol-4-yl)-N-(3-phenylpropyl)benzenesulfonamide 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

4-(2,5-dimethyl-1,3-oxazol-4-yl)-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 110675358
4-(2,5-dimethyl-1,3-oxazol-4-yl)-N-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]benzenesulfonamide
CID 110632442
N-[2-(diethylamino)propyl]-4-(2,5-dimethyl-1,3-oxazol-4-yl)benzenesulfonamide
CID 110620380
4-(2,5-dimethyl-1,3-oxazol-4-yl)-N-methoxybenzenesulfonamide
CID 110611820
N-[3-(3-benzylphenyl)propyl]-4-methylbenzenesulfonamide
CID 101038565
4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-phenylethyl)benzenesulfonamide
CID 53054383
4-(2,5-dimethyl-1,3-oxazol-4-yl)-N-(2-propan-2-ylphenyl)benzenesulfonamide
CID 110419289
4-(2,5-dimethyl-1,3-oxazol-4-yl)-N-(2-methoxyphenyl)benzenesulfonamide
CID 110421910
5-(benzenesulfonyl)-2-ethyl-N-(3-phenylpropyl)benzenesulfonamide
CID 57430153
4-fluoro-N-(4-phenylbutyl)benzenesulfonamide
CID 3765011
4-iodo-N-(4-phenylbutyl)benzenesulfonamide
CID 5163174
4-N-cyclopropyl-1-N-(3-phenylpropyl)benzene-1,4-disulfonamide
CID 134060499

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethyl-1,3-oxazol-4-yl)-N-(3-phenylpropyl)benzenesulfonamide?
The IUPAC name of 4-(2,5-dimethyl-1,3-oxazol-4-yl)-N-(3-phenylpropyl)benzenesulfonamide (CID 110414948) is 4-(2,5-dimethyl-1,3-oxazol-4-yl)-N-(3-phenylpropyl)benzenesulfonamide.
What is the SMILES notation for 4-(2,5-dimethyl-1,3-oxazol-4-yl)-N-(3-phenylpropyl)benzenesulfonamide?
The canonical SMILES for 4-(2,5-dimethyl-1,3-oxazol-4-yl)-N-(3-phenylpropyl)benzenesulfonamide is Cc1nc(-c2ccc(S(=O)(=O)NCCCc3ccccc3)cc2)c(C)o1.
What is the InChIKey of 4-(2,5-dimethyl-1,3-oxazol-4-yl)-N-(3-phenylpropyl)benzenesulfonamide?
The InChIKey is BOCFNAQMXDNKJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3S/c1-15-20(22-16(2)25-15)18-10-12-19(13-11-18)26(23,24)21-14-6-9-17-7-4-3-5-8-17/h3-5,7-8,10-13,21H,6,9,14H2,1-2H3.
What are the key properties of 4-(2,5-dimethyl-1,3-oxazol-4-yl)-N-(3-phenylpropyl)benzenesulfonamide?
4-(2,5-dimethyl-1,3-oxazol-4-yl)-N-(3-phenylpropyl)benzenesulfonamide has a molecular weight of 370.47 g/mol, XLogP of 3.87, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethyl-1,3-oxazol-4-yl)-N-(3-phenylpropyl)benzenesulfonamide is sourced from PubChem (CID 110414948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).