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

C21H21FN4O5S — CID 50825041

IUPACN-(2-fluorophenyl)-3-[3-(4-morpholin-4-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
SMILESO=C(CCc1nc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)no1)Nc1ccccc1F
InChIInChI=1S/C21H21FN4O5S/c22-17-3-1-2-4-18(17)23-19(27)9-10-20-24-21(25-31-20)15-5-7-16(8-6-15)32(28,29)26-11-13-30-14-12-26/h1-8H,9-14H2,(H,23,27)
InChIKeyGLOSWKGPWYLMGX-UHFFFAOYSA-N
MW460.49 g/mol
LogP2.47
Rot. Bonds7

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

N-(2-fluorophenyl)-3-[3-(4-morpholin-4-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]propanamide (PubChem CID 50825041) has the molecular formula C21H21FN4O5S and a molecular weight of 460.49 g/mol. Its IUPAC name is N-(2-fluorophenyl)-3-[3-(4-morpholin-4-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]propanamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-3-[3-(4-morpholin-4-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
PubChem CID50825041
Molecular FormulaC21H21FN4O5S
Molecular Weight460.49 g/mol
Exact Mass460.12
IUPAC NameN-(2-fluorophenyl)-3-[3-(4-morpholin-4-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
SMILESO=C(CCc1nc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)no1)Nc1ccccc1F
InChIInChI=1S/C21H21FN4O5S/c22-17-3-1-2-4-18(17)23-19(27)9-10-20-24-21(25-31-20)15-5-7-16(8-6-15)32(28,29)26-11-13-30-14-12-26/h1-8H,9-14H2,(H,23,27)
InChIKeyGLOSWKGPWYLMGX-UHFFFAOYSA-N
XLogP2.47
TPSA114.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.49
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-[3-(4-morpholin-4-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpropanamide
CID 50825186
3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-fluorophenyl)propanamide
CID 100759410
3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide
CID 27862054
3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 17354574
N-(3-chloro-2-morpholin-4-ylphenyl)-3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 41270775
3-[3-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,2,4-oxadiazol-5-yl]-N-pyridin-2-ylpropanamide
CID 50824921
N-(2-aminophenyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 119422735
N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 30135477
N-(3,4-dimethylphenyl)-3-[3-(4-piperidin-1-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 50825092
N-[4-[[3-(4-morpholin-4-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]acetamide
CID 53075358
4-[4-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]phenyl]sulfonylmorpholine
CID 46329228
N-[2-(morpholine-4-carbonyl)phenyl]-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 35330593

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-3-[3-(4-morpholin-4-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The IUPAC name of N-(2-fluorophenyl)-3-[3-(4-morpholin-4-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]propanamide (CID 50825041) is N-(2-fluorophenyl)-3-[3-(4-morpholin-4-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]propanamide.
What is the SMILES notation for N-(2-fluorophenyl)-3-[3-(4-morpholin-4-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The canonical SMILES for N-(2-fluorophenyl)-3-[3-(4-morpholin-4-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]propanamide is O=C(CCc1nc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)no1)Nc1ccccc1F.
What is the InChIKey of N-(2-fluorophenyl)-3-[3-(4-morpholin-4-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The InChIKey is GLOSWKGPWYLMGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O5S/c22-17-3-1-2-4-18(17)23-19(27)9-10-20-24-21(25-31-20)15-5-7-16(8-6-15)32(28,29)26-11-13-30-14-12-26/h1-8H,9-14H2,(H,23,27).
What are the key properties of N-(2-fluorophenyl)-3-[3-(4-morpholin-4-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
N-(2-fluorophenyl)-3-[3-(4-morpholin-4-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]propanamide has a molecular weight of 460.49 g/mol, XLogP of 2.47, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-3-[3-(4-morpholin-4-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]propanamide is sourced from PubChem (CID 50825041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).