2-[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-[2-(4-methylpiperidin-1-yl)propyl]acetamide

C21H28FN3O2 — CID 110620662

IUPAC2-[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-[2-(4-methylpiperidin-1-yl)propyl]acetamide
SMILESCc1oc(-c2cccc(F)c2)nc1CC(=O)NCC(C)N1CCC(C)CC1
InChIInChI=1S/C21H28FN3O2/c1-14-7-9-25(10-8-14)15(2)13-23-20(26)12-19-16(3)27-21(24-19)17-5-4-6-18(22)11-17/h4-6,11,14-15H,7-10,12-13H2,1-3H3,(H,23,26)
InChIKeyPCYVBWVJEDLGLL-UHFFFAOYSA-N
MW373.47 g/mol
LogP3.57
Rot. Bonds6

About 2-[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-[2-(4-methylpiperidin-1-yl)propyl]acetamide

2-[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-[2-(4-methylpiperidin-1-yl)propyl]acetamide (PubChem CID 110620662) has the molecular formula C21H28FN3O2 and a molecular weight of 373.47 g/mol. Its IUPAC name is 2-[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-[2-(4-methylpiperidin-1-yl)propyl]acetamide.

Molecular Properties

Compound Name2-[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-[2-(4-methylpiperidin-1-yl)propyl]acetamide
PubChem CID110620662
Molecular FormulaC21H28FN3O2
Molecular Weight373.47 g/mol
Exact Mass373.22
IUPAC Name2-[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-[2-(4-methylpiperidin-1-yl)propyl]acetamide
SMILESCc1oc(-c2cccc(F)c2)nc1CC(=O)NCC(C)N1CCC(C)CC1
InChIInChI=1S/C21H28FN3O2/c1-14-7-9-25(10-8-14)15(2)13-23-20(26)12-19-16(3)27-21(24-19)17-5-4-6-18(22)11-17/h4-6,11,14-15H,7-10,12-13H2,1-3H3,(H,23,26)
InChIKeyPCYVBWVJEDLGLL-UHFFFAOYSA-N
XLogP3.57
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.47
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]-N-(2-piperidin-1-ylpropyl)acetamide
CID 110620548
2-[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]-N-(2-pyrrolidin-1-ylpropyl)acetamide
CID 110353186
2-[2-(1,3-benzodioxol-5-yl)-5-methyl-1,3-oxazol-4-yl]-N-(2-pyrrolidin-1-ylpropyl)acetamide
CID 110620524
2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide
CID 69179392
2-[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-(imidazo[1,5-a]pyridin-3-ylmethyl)acetamide
CID 110609939
N-(4-acetamidobutyl)-2-[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]acetamide
CID 110417936
N-[2-(2,3-dihydroindol-1-yl)ethyl]-2-[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]acetamide
CID 110620134
2-[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]acetamide
CID 110630113
N-[2-[4-(dimethylamino)phenyl]ethyl]-2-[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]acetamide
CID 110627062
2-[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 110427369
2-[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-[2-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]acetamide
CID 110627645
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethanone
CID 110413016

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-[2-(4-methylpiperidin-1-yl)propyl]acetamide?
The IUPAC name of 2-[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-[2-(4-methylpiperidin-1-yl)propyl]acetamide (CID 110620662) is 2-[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-[2-(4-methylpiperidin-1-yl)propyl]acetamide.
What is the SMILES notation for 2-[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-[2-(4-methylpiperidin-1-yl)propyl]acetamide?
The canonical SMILES for 2-[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-[2-(4-methylpiperidin-1-yl)propyl]acetamide is Cc1oc(-c2cccc(F)c2)nc1CC(=O)NCC(C)N1CCC(C)CC1.
What is the InChIKey of 2-[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-[2-(4-methylpiperidin-1-yl)propyl]acetamide?
The InChIKey is PCYVBWVJEDLGLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28FN3O2/c1-14-7-9-25(10-8-14)15(2)13-23-20(26)12-19-16(3)27-21(24-19)17-5-4-6-18(22)11-17/h4-6,11,14-15H,7-10,12-13H2,1-3H3,(H,23,26).
What are the key properties of 2-[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-[2-(4-methylpiperidin-1-yl)propyl]acetamide?
2-[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-[2-(4-methylpiperidin-1-yl)propyl]acetamide has a molecular weight of 373.47 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-[2-(4-methylpiperidin-1-yl)propyl]acetamide is sourced from PubChem (CID 110620662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).