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

C21H15F4N5O3 — CID 53345018

IUPACN-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]propyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine-3-carboxamide
SMILESCC(CNC(=O)c1cncc(-c2noc(C(F)(F)F)n2)c1)c1coc(-c2ccc(F)cc2)n1
InChIInChI=1S/C21H15F4N5O3/c1-11(16-10-32-19(28-16)12-2-4-15(22)5-3-12)7-27-18(31)14-6-13(8-26-9-14)17-29-20(33-30-17)21(23,24)25/h2-6,8-11H,7H2,1H3,(H,27,31)
InChIKeyNSBHBIVDPHSWTD-UHFFFAOYSA-N
MW461.38 g/mol
LogP4.48
Rot. Bonds6

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

N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]propyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine-3-carboxamide (PubChem CID 53345018) has the molecular formula C21H15F4N5O3 and a molecular weight of 461.38 g/mol. Its IUPAC name is N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]propyl]-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]propyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine-3-carboxamide
PubChem CID53345018
Molecular FormulaC21H15F4N5O3
Molecular Weight461.38 g/mol
Exact Mass461.11
IUPAC NameN-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]propyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine-3-carboxamide
SMILESCC(CNC(=O)c1cncc(-c2noc(C(F)(F)F)n2)c1)c1coc(-c2ccc(F)cc2)n1
InChIInChI=1S/C21H15F4N5O3/c1-11(16-10-32-19(28-16)12-2-4-15(22)5-3-12)7-27-18(31)14-6-13(8-26-9-14)17-29-20(33-30-17)21(23,24)25/h2-6,8-11H,7H2,1H3,(H,27,31)
InChIKeyNSBHBIVDPHSWTD-UHFFFAOYSA-N
XLogP4.48
TPSA106.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.38
LogP ≤ 54.48
H-Bond Donors ≤ 51
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]propyl]-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]propyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine-3-carboxamide (CID 53345018) is N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]propyl]-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]propyl]-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]propyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine-3-carboxamide is CC(CNC(=O)c1cncc(-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]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine-3-carboxamide?
The InChIKey is NSBHBIVDPHSWTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F4N5O3/c1-11(16-10-32-19(28-16)12-2-4-15(22)5-3-12)7-27-18(31)14-6-13(8-26-9-14)17-29-20(33-30-17)21(23,24)25/h2-6,8-11H,7H2,1H3,(H,27,31).
What are the key properties of N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]propyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine-3-carboxamide?
N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]propyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine-3-carboxamide has a molecular weight of 461.38 g/mol, XLogP of 4.48, 6 rotatable bonds, 1 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]propyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine-3-carboxamide is sourced from PubChem (CID 53345018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).