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

C18H23N3O5S — CID 9183600

IUPAC3-ethyl-5-methyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-1,2-oxazole-4-carboxamide
SMILESCCc1noc(C)c1C(=O)Nc1ccc(C)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C18H23N3O5S/c1-4-15-17(13(3)26-20-15)18(22)19-14-6-5-12(2)16(11-14)27(23,24)21-7-9-25-10-8-21/h5-6,11H,4,7-10H2,1-3H3,(H,19,22)
InChIKeyDVMOJAJBKDKPHJ-UHFFFAOYSA-N
MW393.47 g/mol
LogP2.13
Rot. Bonds5

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

3-ethyl-5-methyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-1,2-oxazole-4-carboxamide (PubChem CID 9183600) has the molecular formula C18H23N3O5S and a molecular weight of 393.47 g/mol. Its IUPAC name is 3-ethyl-5-methyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-ethyl-5-methyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-1,2-oxazole-4-carboxamide
PubChem CID9183600
Molecular FormulaC18H23N3O5S
Molecular Weight393.47 g/mol
Exact Mass393.14
IUPAC Name3-ethyl-5-methyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-1,2-oxazole-4-carboxamide
SMILESCCc1noc(C)c1C(=O)Nc1ccc(C)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C18H23N3O5S/c1-4-15-17(13(3)26-20-15)18(22)19-14-6-5-12(2)16(11-14)27(23,24)21-7-9-25-10-8-21/h5-6,11H,4,7-10H2,1-3H3,(H,19,22)
InChIKeyDVMOJAJBKDKPHJ-UHFFFAOYSA-N
XLogP2.13
TPSA101.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 30270506
3-ethyl-5-methyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]-1,2-oxazole-4-carboxamide
CID 9479423
3-methyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 9183588
N-(3-chloro-4-methylphenyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 9068463
N-(4-ethoxy-3-morpholin-4-ylsulfonylphenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 9050102
3-ethyl-5-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2-oxazole-4-carboxamide
CID 17070736
3-ethyl-5-methyl-N-(4-piperidin-1-ylsulfonylphenyl)-1,2-oxazole-4-carboxamide
CID 6468193
N-[4-(azepan-1-ylsulfonyl)phenyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 26285878
2-chloro-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 3409401
N-[3-ethyl-4-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-1,2-oxazol-5-yl]acetamide
CID 53133346
2-(1,2-benzoxazol-3-yl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 9183622
N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 5030956

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-methyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-ethyl-5-methyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-1,2-oxazole-4-carboxamide (CID 9183600) is 3-ethyl-5-methyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-ethyl-5-methyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-ethyl-5-methyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-1,2-oxazole-4-carboxamide is CCc1noc(C)c1C(=O)Nc1ccc(C)c(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of 3-ethyl-5-methyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-1,2-oxazole-4-carboxamide?
The InChIKey is DVMOJAJBKDKPHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O5S/c1-4-15-17(13(3)26-20-15)18(22)19-14-6-5-12(2)16(11-14)27(23,24)21-7-9-25-10-8-21/h5-6,11H,4,7-10H2,1-3H3,(H,19,22).
What are the key properties of 3-ethyl-5-methyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-1,2-oxazole-4-carboxamide?
3-ethyl-5-methyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-1,2-oxazole-4-carboxamide has a molecular weight of 393.47 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-methyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 9183600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).