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

C22H16F4N4O4 — CID 53345242

IUPACN-[3-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-3-hydroxypropyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
SMILESO=C(NCCC(O)c1coc(-c2ccc(F)cc2)n1)c1cccc(-c2noc(C(F)(F)F)n2)c1
InChIInChI=1S/C22H16F4N4O4/c23-15-6-4-12(5-7-15)20-28-16(11-33-20)17(31)8-9-27-19(32)14-3-1-2-13(10-14)18-29-21(34-30-18)22(24,25)26/h1-7,10-11,17,31H,8-9H2,(H,27,32)
InChIKeyBGCJSRIREYUZFX-UHFFFAOYSA-N
MW476.39 g/mol
LogP4.40
Rot. Bonds7

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

N-[3-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-3-hydroxypropyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide (PubChem CID 53345242) has the molecular formula C22H16F4N4O4 and a molecular weight of 476.39 g/mol. Its IUPAC name is N-[3-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-3-hydroxypropyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide.

Molecular Properties

Compound NameN-[3-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-3-hydroxypropyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
PubChem CID53345242
Molecular FormulaC22H16F4N4O4
Molecular Weight476.39 g/mol
Exact Mass476.11
IUPAC NameN-[3-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-3-hydroxypropyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
SMILESO=C(NCCC(O)c1coc(-c2ccc(F)cc2)n1)c1cccc(-c2noc(C(F)(F)F)n2)c1
InChIInChI=1S/C22H16F4N4O4/c23-15-6-4-12(5-7-15)20-28-16(11-33-20)17(31)8-9-27-19(32)14-3-1-2-13(10-14)18-29-21(34-30-18)22(24,25)26/h1-7,10-11,17,31H,8-9H2,(H,27,32)
InChIKeyBGCJSRIREYUZFX-UHFFFAOYSA-N
XLogP4.40
TPSA114.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.39
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-3-hydroxypropyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide?
The IUPAC name of N-[3-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-3-hydroxypropyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide (CID 53345242) is N-[3-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-3-hydroxypropyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide.
What is the SMILES notation for N-[3-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-3-hydroxypropyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide?
The canonical SMILES for N-[3-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-3-hydroxypropyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide is O=C(NCCC(O)c1coc(-c2ccc(F)cc2)n1)c1cccc(-c2noc(C(F)(F)F)n2)c1.
What is the InChIKey of N-[3-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-3-hydroxypropyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide?
The InChIKey is BGCJSRIREYUZFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F4N4O4/c23-15-6-4-12(5-7-15)20-28-16(11-33-20)17(31)8-9-27-19(32)14-3-1-2-13(10-14)18-29-21(34-30-18)22(24,25)26/h1-7,10-11,17,31H,8-9H2,(H,27,32).
What are the key properties of N-[3-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-3-hydroxypropyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide?
N-[3-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-3-hydroxypropyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide has a molecular weight of 476.39 g/mol, XLogP of 4.40, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-3-hydroxypropyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide is sourced from PubChem (CID 53345242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).