N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-hydroxyethyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide

C21H14F4N4O4 — CID 67326379

IUPACN-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-hydroxyethyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
SMILESO=C(NCC(O)c1coc(-c2ccc(F)cc2)n1)c1cccc(-c2noc(C(F)(F)F)n2)c1
InChIInChI=1S/C21H14F4N4O4/c22-14-6-4-11(5-7-14)19-27-15(10-32-19)16(30)9-26-18(31)13-3-1-2-12(8-13)17-28-20(33-29-17)21(23,24)25/h1-8,10,16,30H,9H2,(H,26,31)
InChIKeyLNZACOCISFIZIM-UHFFFAOYSA-N
MW462.36 g/mol
LogP4.01
Rot. Bonds6

About N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-hydroxyethyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide

N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-hydroxyethyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide (PubChem CID 67326379) has the molecular formula C21H14F4N4O4 and a molecular weight of 462.36 g/mol. Its IUPAC name is N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-hydroxyethyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide.

Molecular Properties

Compound NameN-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-hydroxyethyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
PubChem CID67326379
Molecular FormulaC21H14F4N4O4
Molecular Weight462.36 g/mol
Exact Mass462.10
IUPAC NameN-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-hydroxyethyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
SMILESO=C(NCC(O)c1coc(-c2ccc(F)cc2)n1)c1cccc(-c2noc(C(F)(F)F)n2)c1
InChIInChI=1S/C21H14F4N4O4/c22-14-6-4-11(5-7-14)19-27-15(10-32-19)16(30)9-26-18(31)13-3-1-2-12(8-13)17-28-20(33-29-17)21(23,24)25/h1-8,10,16,30H,9H2,(H,26,31)
InChIKeyLNZACOCISFIZIM-UHFFFAOYSA-N
XLogP4.01
TPSA114.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.36
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-hydroxyethyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide?
The IUPAC name of N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-hydroxyethyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide (CID 67326379) is N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-hydroxyethyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide.
What is the SMILES notation for N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-hydroxyethyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide?
The canonical SMILES for N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-hydroxyethyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide is O=C(NCC(O)c1coc(-c2ccc(F)cc2)n1)c1cccc(-c2noc(C(F)(F)F)n2)c1.
What is the InChIKey of N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-hydroxyethyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide?
The InChIKey is LNZACOCISFIZIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F4N4O4/c22-14-6-4-11(5-7-14)19-27-15(10-32-19)16(30)9-26-18(31)13-3-1-2-12(8-13)17-28-20(33-29-17)21(23,24)25/h1-8,10,16,30H,9H2,(H,26,31).
What are the key properties of N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-hydroxyethyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide?
N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-hydroxyethyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide has a molecular weight of 462.36 g/mol, XLogP of 4.01, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-hydroxyethyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide is sourced from PubChem (CID 67326379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).