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

C21H21N3O5S — CID 1164447

IUPAC5-methyl-N-(4-morpholin-4-ylsulfonylphenyl)-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2)c1C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C21H21N3O5S/c1-15-19(20(23-29-15)16-5-3-2-4-6-16)21(25)22-17-7-9-18(10-8-17)30(26,27)24-11-13-28-14-12-24/h2-10H,11-14H2,1H3,(H,22,25)
InChIKeyONLSCPIDRJIZEV-UHFFFAOYSA-N
MW427.48 g/mol
LogP2.92
Rot. Bonds5

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

5-methyl-N-(4-morpholin-4-ylsulfonylphenyl)-3-phenyl-1,2-oxazole-4-carboxamide (PubChem CID 1164447) has the molecular formula C21H21N3O5S and a molecular weight of 427.48 g/mol. Its IUPAC name is 5-methyl-N-(4-morpholin-4-ylsulfonylphenyl)-3-phenyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(4-morpholin-4-ylsulfonylphenyl)-3-phenyl-1,2-oxazole-4-carboxamide
PubChem CID1164447
Molecular FormulaC21H21N3O5S
Molecular Weight427.48 g/mol
Exact Mass427.12
IUPAC Name5-methyl-N-(4-morpholin-4-ylsulfonylphenyl)-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2)c1C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C21H21N3O5S/c1-15-19(20(23-29-15)16-5-3-2-4-6-16)21(25)22-17-7-9-18(10-8-17)30(26,27)24-11-13-28-14-12-24/h2-10H,11-14H2,1H3,(H,22,25)
InChIKeyONLSCPIDRJIZEV-UHFFFAOYSA-N
XLogP2.92
TPSA101.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.48
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(4-morpholin-4-ylsulfonylphenyl)-3-phenyl-1,2-oxazole-4-carboxamide?
The IUPAC name of 5-methyl-N-(4-morpholin-4-ylsulfonylphenyl)-3-phenyl-1,2-oxazole-4-carboxamide (CID 1164447) is 5-methyl-N-(4-morpholin-4-ylsulfonylphenyl)-3-phenyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-(4-morpholin-4-ylsulfonylphenyl)-3-phenyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-(4-morpholin-4-ylsulfonylphenyl)-3-phenyl-1,2-oxazole-4-carboxamide is Cc1onc(-c2ccccc2)c1C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of 5-methyl-N-(4-morpholin-4-ylsulfonylphenyl)-3-phenyl-1,2-oxazole-4-carboxamide?
The InChIKey is ONLSCPIDRJIZEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O5S/c1-15-19(20(23-29-15)16-5-3-2-4-6-16)21(25)22-17-7-9-18(10-8-17)30(26,27)24-11-13-28-14-12-24/h2-10H,11-14H2,1H3,(H,22,25).
What are the key properties of 5-methyl-N-(4-morpholin-4-ylsulfonylphenyl)-3-phenyl-1,2-oxazole-4-carboxamide?
5-methyl-N-(4-morpholin-4-ylsulfonylphenyl)-3-phenyl-1,2-oxazole-4-carboxamide has a molecular weight of 427.48 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(4-morpholin-4-ylsulfonylphenyl)-3-phenyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 1164447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).