3,4-dimethyl-N-[2-[4-(1,3-oxazol-2-ylmethyl)phenyl]phenyl]sulfonyl-1,2-oxazole-5-carboxamide

C22H19N3O5S — CID 67724708

IUPAC3,4-dimethyl-N-[2-[4-(1,3-oxazol-2-ylmethyl)phenyl]phenyl]sulfonyl-1,2-oxazole-5-carboxamide
SMILESCc1noc(C(=O)NS(=O)(=O)c2ccccc2-c2ccc(Cc3ncco3)cc2)c1C
InChIInChI=1S/C22H19N3O5S/c1-14-15(2)24-30-21(14)22(26)25-31(27,28)19-6-4-3-5-18(19)17-9-7-16(8-10-17)13-20-23-11-12-29-20/h3-12H,13H2,1-2H3,(H,25,26)
InChIKeyIXOMLUSZGOTURQ-UHFFFAOYSA-N
MW437.48 g/mol
LogP3.66
Rot. Bonds6

About 3,4-dimethyl-N-[2-[4-(1,3-oxazol-2-ylmethyl)phenyl]phenyl]sulfonyl-1,2-oxazole-5-carboxamide

3,4-dimethyl-N-[2-[4-(1,3-oxazol-2-ylmethyl)phenyl]phenyl]sulfonyl-1,2-oxazole-5-carboxamide (PubChem CID 67724708) has the molecular formula C22H19N3O5S and a molecular weight of 437.48 g/mol. Its IUPAC name is 3,4-dimethyl-N-[2-[4-(1,3-oxazol-2-ylmethyl)phenyl]phenyl]sulfonyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3,4-dimethyl-N-[2-[4-(1,3-oxazol-2-ylmethyl)phenyl]phenyl]sulfonyl-1,2-oxazole-5-carboxamide
PubChem CID67724708
Molecular FormulaC22H19N3O5S
Molecular Weight437.48 g/mol
Exact Mass437.10
IUPAC Name3,4-dimethyl-N-[2-[4-(1,3-oxazol-2-ylmethyl)phenyl]phenyl]sulfonyl-1,2-oxazole-5-carboxamide
SMILESCc1noc(C(=O)NS(=O)(=O)c2ccccc2-c2ccc(Cc3ncco3)cc2)c1C
InChIInChI=1S/C22H19N3O5S/c1-14-15(2)24-30-21(14)22(26)25-31(27,28)19-6-4-3-5-18(19)17-9-7-16(8-10-17)13-20-23-11-12-29-20/h3-12H,13H2,1-2H3,(H,25,26)
InChIKeyIXOMLUSZGOTURQ-UHFFFAOYSA-N
XLogP3.66
TPSA115.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.48
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3,4-dimethyl-N-[2-[4-(1,3-oxazol-2-ylmethyl)phenyl]phenyl]sulfonyl-1,2-oxazole-5-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

Edonentan
CID 156690
Bms-193884
CID 9843631
N-(4,5-dimethyl-1,2-oxazol-3-yl)-2-[2-[(3,3-dimethyl-2-oxopyrrolidin-1-yl)methyl]-4-(1,3-oxazol-2-yl)phenyl]benzenesulfonamide
CID 9958321
N-[[2-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-5-(1,3-oxazol-2-yl)phenyl]methyl]-N,3,3-trimethylbutanamide
CID 10119517
N-[[2-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-5-(1,3-oxazol-2-yl)phenyl]methyl]-N-propan-2-ylacetamide
CID 10864118
N-tert-Butyl-2-[2''-(3,4-dimethyl-isoxazol-5-ylsulfamoyl)-4-oxazol-2-yl-biphenyl-2-yl]-acetamide
CID 10907333
N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[2-[(N-methylanilino)methyl]-4-(1,3-oxazol-2-yl)phenyl]benzenesulfonamide
CID 10918301
N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[2-[(4,4-dimethyl-2-oxopyrrolidin-1-yl)methyl]-4-(1,3-oxazol-2-yl)phenyl]benzenesulfonamide
CID 10918368
N-Cyclopropyl-N-[2''-(3,4-dimethyl-isoxazol-5-ylsulfamoyl)-4-oxazol-2-yl-biphenyl-2-ylmethyl]-isobutyramide
CID 10929533
N-[2''-(3,4-Dimethyl-isoxazol-5-ylsulfamoyl)-4-oxazol-2-yl-biphenyl-2-ylmethyl]-N-methyl-2-(4-trifluoromethyl-phenyl)-acetamide
CID 10941181
N-[2''-(3,4-Dimethyl-isoxazol-5-ylsulfamoyl)-4-oxazol-2-yl-biphenyl-2-ylmethyl]-N-methyl-acetamide
CID 10972867
4''-Oxazol-2-yl-2''-[(2,2,2-trifluoro-ethylamino)-methyl]-biphenyl-2-sulfonic acid (3,4-dimethyl-isoxazol-5-yl)-amide
CID 10973218

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-[2-[4-(1,3-oxazol-2-ylmethyl)phenyl]phenyl]sulfonyl-1,2-oxazole-5-carboxamide?
The IUPAC name of 3,4-dimethyl-N-[2-[4-(1,3-oxazol-2-ylmethyl)phenyl]phenyl]sulfonyl-1,2-oxazole-5-carboxamide (CID 67724708) is 3,4-dimethyl-N-[2-[4-(1,3-oxazol-2-ylmethyl)phenyl]phenyl]sulfonyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3,4-dimethyl-N-[2-[4-(1,3-oxazol-2-ylmethyl)phenyl]phenyl]sulfonyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3,4-dimethyl-N-[2-[4-(1,3-oxazol-2-ylmethyl)phenyl]phenyl]sulfonyl-1,2-oxazole-5-carboxamide is Cc1noc(C(=O)NS(=O)(=O)c2ccccc2-c2ccc(Cc3ncco3)cc2)c1C.
What is the InChIKey of 3,4-dimethyl-N-[2-[4-(1,3-oxazol-2-ylmethyl)phenyl]phenyl]sulfonyl-1,2-oxazole-5-carboxamide?
The InChIKey is IXOMLUSZGOTURQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O5S/c1-14-15(2)24-30-21(14)22(26)25-31(27,28)19-6-4-3-5-18(19)17-9-7-16(8-10-17)13-20-23-11-12-29-20/h3-12H,13H2,1-2H3,(H,25,26).
What are the key properties of 3,4-dimethyl-N-[2-[4-(1,3-oxazol-2-ylmethyl)phenyl]phenyl]sulfonyl-1,2-oxazole-5-carboxamide?
3,4-dimethyl-N-[2-[4-(1,3-oxazol-2-ylmethyl)phenyl]phenyl]sulfonyl-1,2-oxazole-5-carboxamide has a molecular weight of 437.48 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-[2-[4-(1,3-oxazol-2-ylmethyl)phenyl]phenyl]sulfonyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 67724708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).