N-butan-2-yl-2-[4-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]piperazin-1-yl]acetamide

C20H27FN4O2 — CID 86923626

IUPACN-butan-2-yl-2-[4-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]piperazin-1-yl]acetamide
SMILESCCC(C)NC(=O)CN1CCN(Cc2coc(-c3ccc(F)cc3)n2)CC1
InChIInChI=1S/C20H27FN4O2/c1-3-15(2)22-19(26)13-25-10-8-24(9-11-25)12-18-14-27-20(23-18)16-4-6-17(21)7-5-16/h4-7,14-15H,3,8-13H2,1-2H3,(H,22,26)
InChIKeyYUTKMIXSDWDXFS-UHFFFAOYSA-N
MW374.46 g/mol
LogP2.51
Rot. Bonds7

About N-butan-2-yl-2-[4-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]piperazin-1-yl]acetamide

N-butan-2-yl-2-[4-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]piperazin-1-yl]acetamide (PubChem CID 86923626) has the molecular formula C20H27FN4O2 and a molecular weight of 374.46 g/mol. Its IUPAC name is N-butan-2-yl-2-[4-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[4-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]piperazin-1-yl]acetamide
PubChem CID86923626
Molecular FormulaC20H27FN4O2
Molecular Weight374.46 g/mol
Exact Mass374.21
IUPAC NameN-butan-2-yl-2-[4-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]piperazin-1-yl]acetamide
SMILESCCC(C)NC(=O)CN1CCN(Cc2coc(-c3ccc(F)cc3)n2)CC1
InChIInChI=1S/C20H27FN4O2/c1-3-15(2)22-19(26)13-25-10-8-24(9-11-25)12-18-14-27-20(23-18)16-4-6-17(21)7-5-16/h4-7,14-15H,3,8-13H2,1-2H3,(H,22,26)
InChIKeyYUTKMIXSDWDXFS-UHFFFAOYSA-N
XLogP2.51
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[4-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]piperazin-1-yl]acetamide?
The IUPAC name of N-butan-2-yl-2-[4-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]piperazin-1-yl]acetamide (CID 86923626) is N-butan-2-yl-2-[4-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-butan-2-yl-2-[4-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-butan-2-yl-2-[4-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]piperazin-1-yl]acetamide is CCC(C)NC(=O)CN1CCN(Cc2coc(-c3ccc(F)cc3)n2)CC1.
What is the InChIKey of N-butan-2-yl-2-[4-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]piperazin-1-yl]acetamide?
The InChIKey is YUTKMIXSDWDXFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27FN4O2/c1-3-15(2)22-19(26)13-25-10-8-24(9-11-25)12-18-14-27-20(23-18)16-4-6-17(21)7-5-16/h4-7,14-15H,3,8-13H2,1-2H3,(H,22,26).
What are the key properties of N-butan-2-yl-2-[4-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]piperazin-1-yl]acetamide?
N-butan-2-yl-2-[4-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]piperazin-1-yl]acetamide has a molecular weight of 374.46 g/mol, XLogP of 2.51, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-[4-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 86923626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).