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

C22H16F4N4O4 — CID 53345020

IUPACN-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-hydroxypropyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
SMILESCC(O)(CNC(=O)c1cccc(-c2noc(C(F)(F)F)n2)c1)c1coc(-c2ccc(F)cc2)n1
InChIInChI=1S/C22H16F4N4O4/c1-21(32,16-10-33-19(28-16)12-5-7-15(23)8-6-12)11-27-18(31)14-4-2-3-13(9-14)17-29-20(34-30-17)22(24,25)26/h2-10,32H,11H2,1H3,(H,27,31)
InChIKeyHDZZNNLZRLCLID-UHFFFAOYSA-N
MW476.39 g/mol
LogP4.19
Rot. Bonds6

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

N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-hydroxypropyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide (PubChem CID 53345020) has the molecular formula C22H16F4N4O4 and a molecular weight of 476.39 g/mol. Its IUPAC name is N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-hydroxypropyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide.

Molecular Properties

Compound NameN-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-hydroxypropyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
PubChem CID53345020
Molecular FormulaC22H16F4N4O4
Molecular Weight476.39 g/mol
Exact Mass476.11
IUPAC NameN-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-hydroxypropyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
SMILESCC(O)(CNC(=O)c1cccc(-c2noc(C(F)(F)F)n2)c1)c1coc(-c2ccc(F)cc2)n1
InChIInChI=1S/C22H16F4N4O4/c1-21(32,16-10-33-19(28-16)12-5-7-15(23)8-6-12)11-27-18(31)14-4-2-3-13(9-14)17-29-20(34-30-17)22(24,25)26/h2-10,32H,11H2,1H3,(H,27,31)
InChIKeyHDZZNNLZRLCLID-UHFFFAOYSA-N
XLogP4.19
TPSA114.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.39
LogP ≤ 54.19
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-hydroxypropyl]-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-hydroxypropyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide (CID 53345020) is N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-hydroxypropyl]-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-hydroxypropyl]-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-hydroxypropyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide is CC(O)(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]-2-hydroxypropyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide?
The InChIKey is HDZZNNLZRLCLID-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F4N4O4/c1-21(32,16-10-33-19(28-16)12-5-7-15(23)8-6-12)11-27-18(31)14-4-2-3-13(9-14)17-29-20(34-30-17)22(24,25)26/h2-10,32H,11H2,1H3,(H,27,31).
What are the key properties of N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-hydroxypropyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide?
N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-hydroxypropyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide has a molecular weight of 476.39 g/mol, XLogP of 4.19, 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-hydroxypropyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide is sourced from PubChem (CID 53345020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).