N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide

C22H23N3O6S — CID 4852042

IUPACN-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1c(-c2ccccc2)noc1C
InChIInChI=1S/C22H23N3O6S/c1-15-20(21(24-31-15)16-6-4-3-5-7-16)22(26)23-18-14-17(8-9-19(18)29-2)32(27,28)25-10-12-30-13-11-25/h3-9,14H,10-13H2,1-2H3,(H,23,26)
InChIKeyWMGQOZCVKKEAAP-UHFFFAOYSA-N
MW457.51 g/mol
LogP2.93
Rot. Bonds6

About N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide

N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide (PubChem CID 4852042) has the molecular formula C22H23N3O6S and a molecular weight of 457.51 g/mol. Its IUPAC name is N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
PubChem CID4852042
Molecular FormulaC22H23N3O6S
Molecular Weight457.51 g/mol
Exact Mass457.13
IUPAC NameN-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1c(-c2ccccc2)noc1C
InChIInChI=1S/C22H23N3O6S/c1-15-20(21(24-31-15)16-6-4-3-5-7-16)22(26)23-18-14-17(8-9-19(18)29-2)32(27,28)25-10-12-30-13-11-25/h3-9,14H,10-13H2,1-2H3,(H,23,26)
InChIKeyWMGQOZCVKKEAAP-UHFFFAOYSA-N
XLogP2.93
TPSA110.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.51
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide (CID 4852042) is N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide is COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1c(-c2ccccc2)noc1C.
What is the InChIKey of N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The InChIKey is WMGQOZCVKKEAAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O6S/c1-15-20(21(24-31-15)16-6-4-3-5-7-16)22(26)23-18-14-17(8-9-19(18)29-2)32(27,28)25-10-12-30-13-11-25/h3-9,14H,10-13H2,1-2H3,(H,23,26).
What are the key properties of N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide has a molecular weight of 457.51 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 4852042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).