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

C20H13F4N5O4 — CID 53345246

IUPACN-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-hydroxyethyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine-3-carboxamide
SMILESO=C(NCC(O)c1coc(-c2ccc(F)cc2)n1)c1cncc(-c2noc(C(F)(F)F)n2)c1
InChIInChI=1S/C20H13F4N5O4/c21-13-3-1-10(2-4-13)18-27-14(9-32-18)15(30)8-26-17(31)12-5-11(6-25-7-12)16-28-19(33-29-16)20(22,23)24/h1-7,9,15,30H,8H2,(H,26,31)
InChIKeyCKCAORORKZXIHK-UHFFFAOYSA-N
MW463.35 g/mol
LogP3.41
Rot. Bonds6

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

N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-hydroxyethyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine-3-carboxamide (PubChem CID 53345246) has the molecular formula C20H13F4N5O4 and a molecular weight of 463.35 g/mol. Its IUPAC name is N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-hydroxyethyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-hydroxyethyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine-3-carboxamide
PubChem CID53345246
Molecular FormulaC20H13F4N5O4
Molecular Weight463.35 g/mol
Exact Mass463.09
IUPAC NameN-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-hydroxyethyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine-3-carboxamide
SMILESO=C(NCC(O)c1coc(-c2ccc(F)cc2)n1)c1cncc(-c2noc(C(F)(F)F)n2)c1
InChIInChI=1S/C20H13F4N5O4/c21-13-3-1-10(2-4-13)18-27-14(9-32-18)15(30)8-26-17(31)12-5-11(6-25-7-12)16-28-19(33-29-16)20(22,23)24/h1-7,9,15,30H,8H2,(H,26,31)
InChIKeyCKCAORORKZXIHK-UHFFFAOYSA-N
XLogP3.41
TPSA127.17 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.35
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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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]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine-3-carboxamide?
The IUPAC name of N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-hydroxyethyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine-3-carboxamide (CID 53345246) is N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-hydroxyethyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-hydroxyethyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-hydroxyethyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine-3-carboxamide is O=C(NCC(O)c1coc(-c2ccc(F)cc2)n1)c1cncc(-c2noc(C(F)(F)F)n2)c1.
What is the InChIKey of N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-hydroxyethyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine-3-carboxamide?
The InChIKey is CKCAORORKZXIHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F4N5O4/c21-13-3-1-10(2-4-13)18-27-14(9-32-18)15(30)8-26-17(31)12-5-11(6-25-7-12)16-28-19(33-29-16)20(22,23)24/h1-7,9,15,30H,8H2,(H,26,31).
What are the key properties of N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-hydroxyethyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine-3-carboxamide?
N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-hydroxyethyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine-3-carboxamide has a molecular weight of 463.35 g/mol, XLogP of 3.41, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-hydroxyethyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine-3-carboxamide is sourced from PubChem (CID 53345246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).