5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-yl-N-(pyridin-3-ylmethyl)benzenesulfonamide

C19H21N3O3S — CID 20936463

IUPAC5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-yl-N-(pyridin-3-ylmethyl)benzenesulfonamide
SMILESCc1cc(-c2ccc(C(C)C)c(S(=O)(=O)NCc3cccnc3)c2)on1
InChIInChI=1S/C19H21N3O3S/c1-13(2)17-7-6-16(18-9-14(3)22-25-18)10-19(17)26(23,24)21-12-15-5-4-8-20-11-15/h4-11,13,21H,12H2,1-3H3
InChIKeyQZKJIJIBQAXZKB-UHFFFAOYSA-N
MW371.46 g/mol
LogP3.65
Rot. Bonds6

About 5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-yl-N-(pyridin-3-ylmethyl)benzenesulfonamide

5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-yl-N-(pyridin-3-ylmethyl)benzenesulfonamide (PubChem CID 20936463) has the molecular formula C19H21N3O3S and a molecular weight of 371.46 g/mol. Its IUPAC name is 5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-yl-N-(pyridin-3-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-yl-N-(pyridin-3-ylmethyl)benzenesulfonamide
PubChem CID20936463
Molecular FormulaC19H21N3O3S
Molecular Weight371.46 g/mol
Exact Mass371.13
IUPAC Name5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-yl-N-(pyridin-3-ylmethyl)benzenesulfonamide
SMILESCc1cc(-c2ccc(C(C)C)c(S(=O)(=O)NCc3cccnc3)c2)on1
InChIInChI=1S/C19H21N3O3S/c1-13(2)17-7-6-16(18-9-14(3)22-25-18)10-19(17)26(23,24)21-12-15-5-4-8-20-11-15/h4-11,13,21H,12H2,1-3H3
InChIKeyQZKJIJIBQAXZKB-UHFFFAOYSA-N
XLogP3.65
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-yl-N-pyridin-2-ylbenzenesulfonamide
CID 20936526
2-methyl-5-(3-methyl-1,2-oxazol-5-yl)-N-[(4-methylphenyl)methyl]benzenesulfonamide
CID 20934938
5-(3-methyl-1,2-oxazol-5-yl)-N-(2-methylphenyl)-2-propan-2-ylbenzenesulfonamide
CID 20936493
2-methyl-4-(3-methyl-1,2-oxazol-5-yl)-N-[(4-methylphenyl)methyl]benzenesulfonamide
CID 53094982
2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)-N-[(3-methylphenyl)methyl]benzenesulfonamide
CID 20936139
4-ethoxy-2-methyl-5-propan-2-yl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 6461722
N-[2-(1H-benzimidazol-2-yl)ethyl]-5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-ylbenzenesulfonamide
CID 20936533
N-(5-chloro-2-pyridinyl)-5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-ylbenzenesulfonamide
CID 20936462
N-[(4-methoxyphenyl)methyl]-2-methyl-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 20934937
N-(4-cyanophenyl)-5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-ylbenzenesulfonamide
CID 46335665
N-[4-[[5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-ylphenyl]sulfonylamino]phenyl]acetamide
CID 46335667
N-[3-[benzyl(propan-2-yl)amino]propyl]-2-methyl-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 20935787

Frequently Asked Questions

What is the IUPAC name of 5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-yl-N-(pyridin-3-ylmethyl)benzenesulfonamide?
The IUPAC name of 5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-yl-N-(pyridin-3-ylmethyl)benzenesulfonamide (CID 20936463) is 5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-yl-N-(pyridin-3-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-yl-N-(pyridin-3-ylmethyl)benzenesulfonamide?
The canonical SMILES for 5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-yl-N-(pyridin-3-ylmethyl)benzenesulfonamide is Cc1cc(-c2ccc(C(C)C)c(S(=O)(=O)NCc3cccnc3)c2)on1.
What is the InChIKey of 5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-yl-N-(pyridin-3-ylmethyl)benzenesulfonamide?
The InChIKey is QZKJIJIBQAXZKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3S/c1-13(2)17-7-6-16(18-9-14(3)22-25-18)10-19(17)26(23,24)21-12-15-5-4-8-20-11-15/h4-11,13,21H,12H2,1-3H3.
What are the key properties of 5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-yl-N-(pyridin-3-ylmethyl)benzenesulfonamide?
5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-yl-N-(pyridin-3-ylmethyl)benzenesulfonamide has a molecular weight of 371.46 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-yl-N-(pyridin-3-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 20936463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).