3-ethyl-5-methyl-N-[5-morpholin-4-ylsulfonyl-2-(2,2,2-trifluoroethoxy)phenyl]-1,2-oxazole-4-carboxamide

C19H22F3N3O6S — CID 24979178

IUPAC3-ethyl-5-methyl-N-[5-morpholin-4-ylsulfonyl-2-(2,2,2-trifluoroethoxy)phenyl]-1,2-oxazole-4-carboxamide
SMILESCCc1noc(C)c1C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC(F)(F)F
InChIInChI=1S/C19H22F3N3O6S/c1-3-14-17(12(2)31-24-14)18(26)23-15-10-13(4-5-16(15)30-11-19(20,21)22)32(27,28)25-6-8-29-9-7-25/h4-5,10H,3,6-9,11H2,1-2H3,(H,23,26)
InChIKeyMRCBJTRNYKRWRM-UHFFFAOYSA-N
MW477.46 g/mol
LogP2.76
Rot. Bonds7

About 3-ethyl-5-methyl-N-[5-morpholin-4-ylsulfonyl-2-(2,2,2-trifluoroethoxy)phenyl]-1,2-oxazole-4-carboxamide

3-ethyl-5-methyl-N-[5-morpholin-4-ylsulfonyl-2-(2,2,2-trifluoroethoxy)phenyl]-1,2-oxazole-4-carboxamide (PubChem CID 24979178) has the molecular formula C19H22F3N3O6S and a molecular weight of 477.46 g/mol. Its IUPAC name is 3-ethyl-5-methyl-N-[5-morpholin-4-ylsulfonyl-2-(2,2,2-trifluoroethoxy)phenyl]-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-ethyl-5-methyl-N-[5-morpholin-4-ylsulfonyl-2-(2,2,2-trifluoroethoxy)phenyl]-1,2-oxazole-4-carboxamide
PubChem CID24979178
Molecular FormulaC19H22F3N3O6S
Molecular Weight477.46 g/mol
Exact Mass477.12
IUPAC Name3-ethyl-5-methyl-N-[5-morpholin-4-ylsulfonyl-2-(2,2,2-trifluoroethoxy)phenyl]-1,2-oxazole-4-carboxamide
SMILESCCc1noc(C)c1C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC(F)(F)F
InChIInChI=1S/C19H22F3N3O6S/c1-3-14-17(12(2)31-24-14)18(26)23-15-10-13(4-5-16(15)30-11-19(20,21)22)32(27,28)25-6-8-29-9-7-25/h4-5,10H,3,6-9,11H2,1-2H3,(H,23,26)
InChIKeyMRCBJTRNYKRWRM-UHFFFAOYSA-N
XLogP2.76
TPSA110.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.46
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-methyl-N-[5-morpholin-4-ylsulfonyl-2-(2,2,2-trifluoroethoxy)phenyl]-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-ethyl-5-methyl-N-[5-morpholin-4-ylsulfonyl-2-(2,2,2-trifluoroethoxy)phenyl]-1,2-oxazole-4-carboxamide (CID 24979178) is 3-ethyl-5-methyl-N-[5-morpholin-4-ylsulfonyl-2-(2,2,2-trifluoroethoxy)phenyl]-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-ethyl-5-methyl-N-[5-morpholin-4-ylsulfonyl-2-(2,2,2-trifluoroethoxy)phenyl]-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-ethyl-5-methyl-N-[5-morpholin-4-ylsulfonyl-2-(2,2,2-trifluoroethoxy)phenyl]-1,2-oxazole-4-carboxamide is CCc1noc(C)c1C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC(F)(F)F.
What is the InChIKey of 3-ethyl-5-methyl-N-[5-morpholin-4-ylsulfonyl-2-(2,2,2-trifluoroethoxy)phenyl]-1,2-oxazole-4-carboxamide?
The InChIKey is MRCBJTRNYKRWRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3N3O6S/c1-3-14-17(12(2)31-24-14)18(26)23-15-10-13(4-5-16(15)30-11-19(20,21)22)32(27,28)25-6-8-29-9-7-25/h4-5,10H,3,6-9,11H2,1-2H3,(H,23,26).
What are the key properties of 3-ethyl-5-methyl-N-[5-morpholin-4-ylsulfonyl-2-(2,2,2-trifluoroethoxy)phenyl]-1,2-oxazole-4-carboxamide?
3-ethyl-5-methyl-N-[5-morpholin-4-ylsulfonyl-2-(2,2,2-trifluoroethoxy)phenyl]-1,2-oxazole-4-carboxamide has a molecular weight of 477.46 g/mol, XLogP of 2.76, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-methyl-N-[5-morpholin-4-ylsulfonyl-2-(2,2,2-trifluoroethoxy)phenyl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 24979178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).