3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(3-morpholin-4-ylsulfonylphenyl)benzamide

C23H25N3O6S — CID 26249570

IUPAC3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(3-morpholin-4-ylsulfonylphenyl)benzamide
SMILESCc1noc(C)c1COc1cccc(C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)c1
InChIInChI=1S/C23H25N3O6S/c1-16-22(17(2)32-25-16)15-31-20-7-3-5-18(13-20)23(27)24-19-6-4-8-21(14-19)33(28,29)26-9-11-30-12-10-26/h3-8,13-14H,9-12,15H2,1-2H3,(H,24,27)
InChIKeyTXBZFCKLGJTHKK-UHFFFAOYSA-N
MW471.54 g/mol
LogP3.14
Rot. Bonds7

About 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(3-morpholin-4-ylsulfonylphenyl)benzamide

3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(3-morpholin-4-ylsulfonylphenyl)benzamide (PubChem CID 26249570) has the molecular formula C23H25N3O6S and a molecular weight of 471.54 g/mol. Its IUPAC name is 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(3-morpholin-4-ylsulfonylphenyl)benzamide.

Molecular Properties

Compound Name3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(3-morpholin-4-ylsulfonylphenyl)benzamide
PubChem CID26249570
Molecular FormulaC23H25N3O6S
Molecular Weight471.54 g/mol
Exact Mass471.15
IUPAC Name3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(3-morpholin-4-ylsulfonylphenyl)benzamide
SMILESCc1noc(C)c1COc1cccc(C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)c1
InChIInChI=1S/C23H25N3O6S/c1-16-22(17(2)32-25-16)15-31-20-7-3-5-18(13-20)23(27)24-19-6-4-8-21(14-19)33(28,29)26-9-11-30-12-10-26/h3-8,13-14H,9-12,15H2,1-2H3,(H,24,27)
InChIKeyTXBZFCKLGJTHKK-UHFFFAOYSA-N
XLogP3.14
TPSA110.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.54
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)benzamide
CID 4852264
[2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
CID 3983474
3-(2-methylpropoxy)-N-(3-morpholin-4-ylsulfonylphenyl)benzamide
CID 7589569
N-[3-(tert-butylsulfamoyl)phenyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 39736330
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(3-morpholin-4-ylsulfonylphenyl)acetamide
CID 39951682
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[3-(pyrrolidin-1-ylmethyl)phenyl]benzamide
CID 46417031
3,5-dimethyl-N-(3-morpholin-4-ylsulfonylphenyl)benzamide
CID 4799420
N-[3-[[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]phenyl]-1,3-benzodioxole-5-carboxamide
CID 30838985
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 41172527
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(1-morpholin-4-ylpropan-2-yl)benzamide
CID 55715703
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[3-(1,3-dithiolan-2-yl)phenyl]benzamide
CID 26380377
3,5-dimethyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)-1,2-oxazole-4-carboxamide
CID 7760096

Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(3-morpholin-4-ylsulfonylphenyl)benzamide?
The IUPAC name of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(3-morpholin-4-ylsulfonylphenyl)benzamide (CID 26249570) is 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(3-morpholin-4-ylsulfonylphenyl)benzamide.
What is the SMILES notation for 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(3-morpholin-4-ylsulfonylphenyl)benzamide?
The canonical SMILES for 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(3-morpholin-4-ylsulfonylphenyl)benzamide is Cc1noc(C)c1COc1cccc(C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)c1.
What is the InChIKey of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(3-morpholin-4-ylsulfonylphenyl)benzamide?
The InChIKey is TXBZFCKLGJTHKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O6S/c1-16-22(17(2)32-25-16)15-31-20-7-3-5-18(13-20)23(27)24-19-6-4-8-21(14-19)33(28,29)26-9-11-30-12-10-26/h3-8,13-14H,9-12,15H2,1-2H3,(H,24,27).
What are the key properties of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(3-morpholin-4-ylsulfonylphenyl)benzamide?
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(3-morpholin-4-ylsulfonylphenyl)benzamide has a molecular weight of 471.54 g/mol, XLogP of 3.14, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(3-morpholin-4-ylsulfonylphenyl)benzamide is sourced from PubChem (CID 26249570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).