3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]propanamide

C24H26FN3O4S — CID 16598119

IUPAC3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]propanamide
SMILESCC1CCCN(S(=O)(=O)c2ccc(NC(=O)CCc3ncc(-c4ccc(F)cc4)o3)cc2)C1
InChIInChI=1S/C24H26FN3O4S/c1-17-3-2-14-28(16-17)33(30,31)21-10-8-20(9-11-21)27-23(29)12-13-24-26-15-22(32-24)18-4-6-19(25)7-5-18/h4-11,15,17H,2-3,12-14,16H2,1H3,(H,27,29)
InChIKeyQGDKMYCNDOJMLU-UHFFFAOYSA-N
MW471.55 g/mol
LogP4.47
Rot. Bonds7

About 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]propanamide

3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]propanamide (PubChem CID 16598119) has the molecular formula C24H26FN3O4S and a molecular weight of 471.55 g/mol. Its IUPAC name is 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]propanamide.

Molecular Properties

Compound Name3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]propanamide
PubChem CID16598119
Molecular FormulaC24H26FN3O4S
Molecular Weight471.55 g/mol
Exact Mass471.16
IUPAC Name3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]propanamide
SMILESCC1CCCN(S(=O)(=O)c2ccc(NC(=O)CCc3ncc(-c4ccc(F)cc4)o3)cc2)C1
InChIInChI=1S/C24H26FN3O4S/c1-17-3-2-14-28(16-17)33(30,31)21-10-8-20(9-11-21)27-23(29)12-13-24-26-15-22(32-24)18-4-6-19(25)7-5-18/h4-11,15,17H,2-3,12-14,16H2,1H3,(H,27,29)
InChIKeyQGDKMYCNDOJMLU-UHFFFAOYSA-N
XLogP4.47
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.55
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-fluorophenyl)-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]acetamide
CID 17311952
N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 46690874
3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)propanamide
CID 16591698
1-[5-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]-2-pyridinyl]piperidine-3-carboxamide
CID 55700978
4-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]-N-methylbenzamide
CID 16598099
3-(1,3-dioxoisoindol-2-yl)-N-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]propanamide
CID 40786037
3-[4-(dimethylamino)phenyl]-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]propanamide
CID 24555453
3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-[4-(morpholin-4-ylmethyl)phenyl]propanamide
CID 78834702
N-ethyl-4-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]benzamide
CID 55802153
2-(4-methylphenyl)-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]acetamide
CID 17312033
N-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]acetamide
CID 743584
N-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]acetamide
CID 743581

Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]propanamide?
The IUPAC name of 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]propanamide (CID 16598119) is 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]propanamide.
What is the SMILES notation for 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]propanamide?
The canonical SMILES for 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]propanamide is CC1CCCN(S(=O)(=O)c2ccc(NC(=O)CCc3ncc(-c4ccc(F)cc4)o3)cc2)C1.
What is the InChIKey of 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]propanamide?
The InChIKey is QGDKMYCNDOJMLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN3O4S/c1-17-3-2-14-28(16-17)33(30,31)21-10-8-20(9-11-21)27-23(29)12-13-24-26-15-22(32-24)18-4-6-19(25)7-5-18/h4-11,15,17H,2-3,12-14,16H2,1H3,(H,27,29).
What are the key properties of 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]propanamide?
3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]propanamide has a molecular weight of 471.55 g/mol, XLogP of 4.47, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]propanamide is sourced from PubChem (CID 16598119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).