N-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(2-methoxyethoxymethyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenyl]benzenesulfonamide

C23H24N4O6S — CID 22103387

IUPACN-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(2-methoxyethoxymethyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenyl]benzenesulfonamide
SMILESCOCCOCN(c1onc(C)c1C)S(=O)(=O)c1ccccc1-c1ccc(-c2nnco2)cc1
InChIInChI=1S/C23H24N4O6S/c1-16-17(2)26-33-23(16)27(15-31-13-12-30-3)34(28,29)21-7-5-4-6-20(21)18-8-10-19(11-9-18)22-25-24-14-32-22/h4-11,14H,12-13,15H2,1-3H3
InChIKeyQXAHYXVCBGZKQF-UHFFFAOYSA-N
MW484.53 g/mol
LogP3.82
Rot. Bonds10

About N-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(2-methoxyethoxymethyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenyl]benzenesulfonamide

N-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(2-methoxyethoxymethyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenyl]benzenesulfonamide (PubChem CID 22103387) has the molecular formula C23H24N4O6S and a molecular weight of 484.53 g/mol. Its IUPAC name is N-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(2-methoxyethoxymethyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(2-methoxyethoxymethyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenyl]benzenesulfonamide
PubChem CID22103387
Molecular FormulaC23H24N4O6S
Molecular Weight484.53 g/mol
Exact Mass484.14
IUPAC NameN-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(2-methoxyethoxymethyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenyl]benzenesulfonamide
SMILESCOCCOCN(c1onc(C)c1C)S(=O)(=O)c1ccccc1-c1ccc(-c2nnco2)cc1
InChIInChI=1S/C23H24N4O6S/c1-16-17(2)26-33-23(16)27(15-31-13-12-30-3)34(28,29)21-7-5-4-6-20(21)18-8-10-19(11-9-18)22-25-24-14-32-22/h4-11,14H,12-13,15H2,1-3H3
InChIKeyQXAHYXVCBGZKQF-UHFFFAOYSA-N
XLogP3.82
TPSA120.79 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.53
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(2-methoxyethoxymethyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenyl]benzenesulfonamide?
The IUPAC name of N-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(2-methoxyethoxymethyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenyl]benzenesulfonamide (CID 22103387) is N-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(2-methoxyethoxymethyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for N-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(2-methoxyethoxymethyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenyl]benzenesulfonamide?
The canonical SMILES for N-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(2-methoxyethoxymethyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenyl]benzenesulfonamide is COCCOCN(c1onc(C)c1C)S(=O)(=O)c1ccccc1-c1ccc(-c2nnco2)cc1.
What is the InChIKey of N-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(2-methoxyethoxymethyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenyl]benzenesulfonamide?
The InChIKey is QXAHYXVCBGZKQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O6S/c1-16-17(2)26-33-23(16)27(15-31-13-12-30-3)34(28,29)21-7-5-4-6-20(21)18-8-10-19(11-9-18)22-25-24-14-32-22/h4-11,14H,12-13,15H2,1-3H3.
What are the key properties of N-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(2-methoxyethoxymethyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenyl]benzenesulfonamide?
N-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(2-methoxyethoxymethyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenyl]benzenesulfonamide has a molecular weight of 484.53 g/mol, XLogP of 3.82, 10 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(2-methoxyethoxymethyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 22103387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).