furan-2-yl-[4-[[2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]piperazin-1-yl]methanone

C20H18F3N3O3 — CID 56662467

IUPACfuran-2-yl-[4-[[2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]piperazin-1-yl]methanone
SMILESO=C(c1ccco1)N1CCN(Cc2coc(-c3ccc(C(F)(F)F)cc3)n2)CC1
InChIInChI=1S/C20H18F3N3O3/c21-20(22,23)15-5-3-14(4-6-15)18-24-16(13-29-18)12-25-7-9-26(10-8-25)19(27)17-2-1-11-28-17/h1-6,11,13H,7-10,12H2
InChIKeyFYEGOUPOOQQFAV-UHFFFAOYSA-N
MW405.38 g/mol
LogP3.91
Rot. Bonds4

About furan-2-yl-[4-[[2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]piperazin-1-yl]methanone

furan-2-yl-[4-[[2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]piperazin-1-yl]methanone (PubChem CID 56662467) has the molecular formula C20H18F3N3O3 and a molecular weight of 405.38 g/mol. Its IUPAC name is furan-2-yl-[4-[[2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[4-[[2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]piperazin-1-yl]methanone
PubChem CID56662467
Molecular FormulaC20H18F3N3O3
Molecular Weight405.38 g/mol
Exact Mass405.13
IUPAC Namefuran-2-yl-[4-[[2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]piperazin-1-yl]methanone
SMILESO=C(c1ccco1)N1CCN(Cc2coc(-c3ccc(C(F)(F)F)cc3)n2)CC1
InChIInChI=1S/C20H18F3N3O3/c21-20(22,23)15-5-3-14(4-6-15)18-24-16(13-29-18)12-25-7-9-26(10-8-25)19(27)17-2-1-11-28-17/h1-6,11,13H,7-10,12H2
InChIKeyFYEGOUPOOQQFAV-UHFFFAOYSA-N
XLogP3.91
TPSA62.72 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.38
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[4-[[2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]piperazin-1-yl]methanone?
The IUPAC name of furan-2-yl-[4-[[2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]piperazin-1-yl]methanone (CID 56662467) is furan-2-yl-[4-[[2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]piperazin-1-yl]methanone.
What is the SMILES notation for furan-2-yl-[4-[[2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]piperazin-1-yl]methanone?
The canonical SMILES for furan-2-yl-[4-[[2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]piperazin-1-yl]methanone is O=C(c1ccco1)N1CCN(Cc2coc(-c3ccc(C(F)(F)F)cc3)n2)CC1.
What is the InChIKey of furan-2-yl-[4-[[2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]piperazin-1-yl]methanone?
The InChIKey is FYEGOUPOOQQFAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N3O3/c21-20(22,23)15-5-3-14(4-6-15)18-24-16(13-29-18)12-25-7-9-26(10-8-25)19(27)17-2-1-11-28-17/h1-6,11,13H,7-10,12H2.
What are the key properties of furan-2-yl-[4-[[2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]piperazin-1-yl]methanone?
furan-2-yl-[4-[[2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]piperazin-1-yl]methanone has a molecular weight of 405.38 g/mol, XLogP of 3.91, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-[4-[[2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 56662467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).