2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]acetamide

C21H21FN4O6S — CID 24518898

IUPAC2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]acetamide
SMILESO=C(Cn1nc(-c2ccc(F)cc2)oc1=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C21H21FN4O6S/c22-17-5-3-16(4-6-17)20-24-26(21(28)32-20)14-19(27)23-13-15-1-7-18(8-2-15)33(29,30)25-9-11-31-12-10-25/h1-8H,9-14H2,(H,23,27)
InChIKeyBZUPSMJCNJECCI-UHFFFAOYSA-N
MW476.49 g/mol
LogP0.98
Rot. Bonds7

About 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]acetamide

2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]acetamide (PubChem CID 24518898) has the molecular formula C21H21FN4O6S and a molecular weight of 476.49 g/mol. Its IUPAC name is 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]acetamide
PubChem CID24518898
Molecular FormulaC21H21FN4O6S
Molecular Weight476.49 g/mol
Exact Mass476.12
IUPAC Name2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]acetamide
SMILESO=C(Cn1nc(-c2ccc(F)cc2)oc1=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C21H21FN4O6S/c22-17-5-3-16(4-6-17)20-24-26(21(28)32-20)14-19(27)23-13-15-1-7-18(8-2-15)33(29,30)25-9-11-31-12-10-25/h1-8H,9-14H2,(H,23,27)
InChIKeyBZUPSMJCNJECCI-UHFFFAOYSA-N
XLogP0.98
TPSA123.74 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.49
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[[4-(dimethylamino)phenyl]methyl]-2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetamide
CID 9305124
N-[(3-chlorophenyl)methyl]-2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetamide
CID 9209879
2-[benzyl-(4-fluorophenyl)sulfonylamino]-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]acetamide
CID 43874406
1-(4-fluorophenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-6-oxopyridazine-3-carboxamide
CID 55635456
3-(4-morpholin-4-ylsulfonylphenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide
CID 43875203
N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
CID 30749963
N-[(4-methylphenyl)methyl]-5-(4-morpholin-4-ylsulfonylphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 50837208
N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetamide
CID 24518893
3-amino-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide;hydrochloride
CID 119271571
2-(4-aminophenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]acetamide
CID 119690125
3-(4-morpholin-4-ylsulfonylphenyl)-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]propanamide
CID 55839411
2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N',N'-dimethylacetohydrazide
CID 9180359

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]acetamide?
The IUPAC name of 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]acetamide (CID 24518898) is 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]acetamide.
What is the SMILES notation for 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]acetamide?
The canonical SMILES for 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]acetamide is O=C(Cn1nc(-c2ccc(F)cc2)oc1=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]acetamide?
The InChIKey is BZUPSMJCNJECCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O6S/c22-17-5-3-16(4-6-17)20-24-26(21(28)32-20)14-19(27)23-13-15-1-7-18(8-2-15)33(29,30)25-9-11-31-12-10-25/h1-8H,9-14H2,(H,23,27).
What are the key properties of 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]acetamide?
2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]acetamide has a molecular weight of 476.49 g/mol, XLogP of 0.98, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]acetamide is sourced from PubChem (CID 24518898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).