N-butyl-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide

C25H36FN3O2 — CID 56535418

IUPACN-butyl-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide
SMILESCCCCN(C(=O)CCc1ncc(-c2ccccc2F)o1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C25H36FN3O2/c1-6-7-14-29(18-15-24(2,3)28-25(4,5)16-18)23(30)13-12-22-27-17-21(31-22)19-10-8-9-11-20(19)26/h8-11,17-18,28H,6-7,12-16H2,1-5H3
InChIKeyPQTZUCMKLXKUAJ-UHFFFAOYSA-N
MW429.58 g/mol
LogP5.35
Rot. Bonds8

About N-butyl-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide

N-butyl-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide (PubChem CID 56535418) has the molecular formula C25H36FN3O2 and a molecular weight of 429.58 g/mol. Its IUPAC name is N-butyl-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide.

Molecular Properties

Compound NameN-butyl-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide
PubChem CID56535418
Molecular FormulaC25H36FN3O2
Molecular Weight429.58 g/mol
Exact Mass429.28
IUPAC NameN-butyl-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide
SMILESCCCCN(C(=O)CCc1ncc(-c2ccccc2F)o1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C25H36FN3O2/c1-6-7-14-29(18-15-24(2,3)28-25(4,5)16-18)23(30)13-12-22-27-17-21(31-22)19-10-8-9-11-20(19)26/h8-11,17-18,28H,6-7,12-16H2,1-5H3
InChIKeyPQTZUCMKLXKUAJ-UHFFFAOYSA-N
XLogP5.35
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.58
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-propyl-N-pyrrolidin-3-ylpropanamide
CID 119531213
N-cyclopropyl-N-(4-ethylcyclohexyl)-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 55594177
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-hydroxyethyl)-N-methylpropanamide
CID 110886027
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 16593375
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(3-hydroxybutyl)-N-methylpropanamide
CID 111695986
3-(5-phenyl-1,3-oxazol-2-yl)-N-piperidin-4-yl-N-propylpropanamide;dihydrochloride
CID 119823979
N-[2-(dimethylamino)-2-oxoethyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(2,2,2-trifluoroethyl)propanamide
CID 78882579
N-butyl-3-[4-(methylsulfamoyl)phenyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide
CID 56535416
N-(2-aminoethyl)-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-phenylethyl)propanamide;dihydrochloride
CID 120886717
3-[5-(2-fluorophenyl)furan-2-yl]-N-piperidin-4-yl-N-propylpropanamide;hydrochloride
CID 126779638
N-cyclopropyl-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 18136486
N-[2-(tert-butylamino)-2-oxoethyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide
CID 18137368

Frequently Asked Questions

What is the IUPAC name of N-butyl-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide?
The IUPAC name of N-butyl-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide (CID 56535418) is N-butyl-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide.
What is the SMILES notation for N-butyl-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide?
The canonical SMILES for N-butyl-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide is CCCCN(C(=O)CCc1ncc(-c2ccccc2F)o1)C1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of N-butyl-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide?
The InChIKey is PQTZUCMKLXKUAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36FN3O2/c1-6-7-14-29(18-15-24(2,3)28-25(4,5)16-18)23(30)13-12-22-27-17-21(31-22)19-10-8-9-11-20(19)26/h8-11,17-18,28H,6-7,12-16H2,1-5H3.
What are the key properties of N-butyl-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide?
N-butyl-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide has a molecular weight of 429.58 g/mol, XLogP of 5.35, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide is sourced from PubChem (CID 56535418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).