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

C22H16F4N4O3 — CID 67347057

IUPACN-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]propyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
SMILESCC(CNC(=O)c1cccc(-c2noc(C(F)(F)F)n2)c1)c1coc(-c2ccc(F)cc2)n1
InChIInChI=1S/C22H16F4N4O3/c1-12(17-11-32-20(28-17)13-5-7-16(23)8-6-13)10-27-19(31)15-4-2-3-14(9-15)18-29-21(33-30-18)22(24,25)26/h2-9,11-12H,10H2,1H3,(H,27,31)
InChIKeyNGIJXMPWIDBDIZ-UHFFFAOYSA-N
MW460.39 g/mol
LogP5.08
Rot. Bonds6

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

N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]propyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide (PubChem CID 67347057) has the molecular formula C22H16F4N4O3 and a molecular weight of 460.39 g/mol. Its IUPAC name is N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]propyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide.

Molecular Properties

Compound NameN-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]propyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
PubChem CID67347057
Molecular FormulaC22H16F4N4O3
Molecular Weight460.39 g/mol
Exact Mass460.12
IUPAC NameN-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]propyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
SMILESCC(CNC(=O)c1cccc(-c2noc(C(F)(F)F)n2)c1)c1coc(-c2ccc(F)cc2)n1
InChIInChI=1S/C22H16F4N4O3/c1-12(17-11-32-20(28-17)13-5-7-16(23)8-6-13)10-27-19(31)15-4-2-3-14(9-15)18-29-21(33-30-18)22(24,25)26/h2-9,11-12H,10H2,1H3,(H,27,31)
InChIKeyNGIJXMPWIDBDIZ-UHFFFAOYSA-N
XLogP5.08
TPSA94.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.39
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]propyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide?
The IUPAC name of N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]propyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide (CID 67347057) is N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]propyl]-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]propyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide?
The canonical SMILES for N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]propyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide is CC(CNC(=O)c1cccc(-c2noc(C(F)(F)F)n2)c1)c1coc(-c2ccc(F)cc2)n1.
What is the InChIKey of N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]propyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide?
The InChIKey is NGIJXMPWIDBDIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F4N4O3/c1-12(17-11-32-20(28-17)13-5-7-16(23)8-6-13)10-27-19(31)15-4-2-3-14(9-15)18-29-21(33-30-18)22(24,25)26/h2-9,11-12H,10H2,1H3,(H,27,31).
What are the key properties of N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]propyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide?
N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]propyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide has a molecular weight of 460.39 g/mol, XLogP of 5.08, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]propyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide is sourced from PubChem (CID 67347057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).