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

C18H24N4O5S — CID 50825186

IUPAC3-[3-(4-morpholin-4-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCc1nc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)no1
InChIInChI=1S/C18H24N4O5S/c1-13(2)19-16(23)7-8-17-20-18(21-27-17)14-3-5-15(6-4-14)28(24,25)22-9-11-26-12-10-22/h3-6,13H,7-12H2,1-2H3,(H,19,23)
InChIKeySJPYFAIAOPWIHT-UHFFFAOYSA-N
MW408.48 g/mol
LogP1.21
Rot. Bonds7

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

3-[3-(4-morpholin-4-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpropanamide (PubChem CID 50825186) has the molecular formula C18H24N4O5S and a molecular weight of 408.48 g/mol. Its IUPAC name is 3-[3-(4-morpholin-4-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-[3-(4-morpholin-4-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpropanamide
PubChem CID50825186
Molecular FormulaC18H24N4O5S
Molecular Weight408.48 g/mol
Exact Mass408.15
IUPAC Name3-[3-(4-morpholin-4-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCc1nc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)no1
InChIInChI=1S/C18H24N4O5S/c1-13(2)19-16(23)7-8-17-20-18(21-27-17)14-3-5-15(6-4-14)28(24,25)22-9-11-26-12-10-22/h3-6,13H,7-12H2,1-2H3,(H,19,23)
InChIKeySJPYFAIAOPWIHT-UHFFFAOYSA-N
XLogP1.21
TPSA114.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide
CID 27862054
N-(2-fluorophenyl)-3-[3-(4-morpholin-4-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 50825041
3-[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpropanamide
CID 100762131
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
3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 17354574
N-[1-[3-(4-morpholin-4-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 20934008
N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-morpholin-4-ylsulfonylbenzamide
CID 100680327
3-[3-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,2,4-oxadiazol-5-yl]-N-pyridin-2-ylpropanamide
CID 50824921
methyl 3-[3-[4-(4-formylpiperidin-1-yl)sulfonylphenyl]-1,2,4-oxadiazol-5-yl]propanoate
CID 86584785
N-[(2S)-butan-2-yl]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 41098778
3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-pentan-2-ylpropanamide
CID 18092722

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-morpholin-4-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpropanamide?
The IUPAC name of 3-[3-(4-morpholin-4-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpropanamide (CID 50825186) is 3-[3-(4-morpholin-4-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-[3-(4-morpholin-4-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpropanamide?
The canonical SMILES for 3-[3-(4-morpholin-4-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpropanamide is CC(C)NC(=O)CCc1nc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)no1.
What is the InChIKey of 3-[3-(4-morpholin-4-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpropanamide?
The InChIKey is SJPYFAIAOPWIHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O5S/c1-13(2)19-16(23)7-8-17-20-18(21-27-17)14-3-5-15(6-4-14)28(24,25)22-9-11-26-12-10-22/h3-6,13H,7-12H2,1-2H3,(H,19,23).
What are the key properties of 3-[3-(4-morpholin-4-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpropanamide?
3-[3-(4-morpholin-4-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpropanamide has a molecular weight of 408.48 g/mol, XLogP of 1.21, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-morpholin-4-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpropanamide is sourced from PubChem (CID 50825186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).