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

C22H25N3O6S — CID 55864762

IUPACN-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
SMILESCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C1=NOC(c2ccccc2)C1
InChIInChI=1S/C22H25N3O6S/c1-2-30-20-9-8-17(32(27,28)25-10-12-29-13-11-25)14-18(20)23-22(26)19-15-21(31-24-19)16-6-4-3-5-7-16/h3-9,14,21H,2,10-13,15H2,1H3,(H,23,26)
InChIKeyUEERTZUYARXPJD-UHFFFAOYSA-N
MW459.52 g/mol
LogP2.56
Rot. Bonds7

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

N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide (PubChem CID 55864762) has the molecular formula C22H25N3O6S and a molecular weight of 459.52 g/mol. Its IUPAC name is N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
PubChem CID55864762
Molecular FormulaC22H25N3O6S
Molecular Weight459.52 g/mol
Exact Mass459.15
IUPAC NameN-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
SMILESCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C1=NOC(c2ccccc2)C1
InChIInChI=1S/C22H25N3O6S/c1-2-30-20-9-8-17(32(27,28)25-10-12-29-13-11-25)14-18(20)23-22(26)19-15-21(31-24-19)16-6-4-3-5-7-16/h3-9,14,21H,2,10-13,15H2,1H3,(H,23,26)
InChIKeyUEERTZUYARXPJD-UHFFFAOYSA-N
XLogP2.56
TPSA106.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.52
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-2,6-difluorobenzamide
CID 26892844
N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-3-fluorobenzamide
CID 7719519
N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-2-(2-fluorophenyl)acetamide
CID 7719521
N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-1-benzothiophene-2-carboxamide
CID 27989966
3-cyano-N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)benzamide
CID 7936853
N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 8501995
N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-2-methylbutanamide
CID 46511351
5-chloro-N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)furan-2-carboxamide
CID 39802239
N-(2-ethoxyphenyl)-4-morpholin-4-ylsulfonylbenzamide
CID 650265
(5S)-N-(2-ethoxy-3-pyridinyl)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
CID 94538958
(2S)-2-amino-N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)propanamide;hydrochloride
CID 119268074
2-(2,6-dichlorophenyl)-N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)acetamide
CID 4881777

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide (CID 55864762) is N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide is CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C1=NOC(c2ccccc2)C1.
What is the InChIKey of N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide?
The InChIKey is UEERTZUYARXPJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O6S/c1-2-30-20-9-8-17(32(27,28)25-10-12-29-13-11-25)14-18(20)23-22(26)19-15-21(31-24-19)16-6-4-3-5-7-16/h3-9,14,21H,2,10-13,15H2,1H3,(H,23,26).
What are the key properties of N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide?
N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide has a molecular weight of 459.52 g/mol, XLogP of 2.56, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 55864762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).