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

C21H13F3N6O3 — CID 67380355

IUPACN-[2-[2-(4-cyanophenyl)-1,3-oxazol-4-yl]ethyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine-3-carboxamide
SMILESN#Cc1ccc(-c2nc(CCNC(=O)c3cncc(-c4noc(C(F)(F)F)n4)c3)co2)cc1
InChIInChI=1S/C21H13F3N6O3/c22-21(23,24)20-29-17(30-33-20)14-7-15(10-26-9-14)18(31)27-6-5-16-11-32-19(28-16)13-3-1-12(8-25)2-4-13/h1-4,7,9-11H,5-6H2,(H,27,31)
InChIKeyTYEXMPXKPYQMSQ-UHFFFAOYSA-N
MW454.37 g/mol
LogP3.65
Rot. Bonds6

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

N-[2-[2-(4-cyanophenyl)-1,3-oxazol-4-yl]ethyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine-3-carboxamide (PubChem CID 67380355) has the molecular formula C21H13F3N6O3 and a molecular weight of 454.37 g/mol. Its IUPAC name is N-[2-[2-(4-cyanophenyl)-1,3-oxazol-4-yl]ethyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(4-cyanophenyl)-1,3-oxazol-4-yl]ethyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine-3-carboxamide
PubChem CID67380355
Molecular FormulaC21H13F3N6O3
Molecular Weight454.37 g/mol
Exact Mass454.10
IUPAC NameN-[2-[2-(4-cyanophenyl)-1,3-oxazol-4-yl]ethyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine-3-carboxamide
SMILESN#Cc1ccc(-c2nc(CCNC(=O)c3cncc(-c4noc(C(F)(F)F)n4)c3)co2)cc1
InChIInChI=1S/C21H13F3N6O3/c22-21(23,24)20-29-17(30-33-20)14-7-15(10-26-9-14)18(31)27-6-5-16-11-32-19(28-16)13-3-1-12(8-25)2-4-13/h1-4,7,9-11H,5-6H2,(H,27,31)
InChIKeyTYEXMPXKPYQMSQ-UHFFFAOYSA-N
XLogP3.65
TPSA130.73 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.37
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-cyanophenyl)-1,3-oxazol-4-yl]ethyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine-3-carboxamide?
The IUPAC name of N-[2-[2-(4-cyanophenyl)-1,3-oxazol-4-yl]ethyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine-3-carboxamide (CID 67380355) is N-[2-[2-(4-cyanophenyl)-1,3-oxazol-4-yl]ethyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-[2-(4-cyanophenyl)-1,3-oxazol-4-yl]ethyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-[2-(4-cyanophenyl)-1,3-oxazol-4-yl]ethyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine-3-carboxamide is N#Cc1ccc(-c2nc(CCNC(=O)c3cncc(-c4noc(C(F)(F)F)n4)c3)co2)cc1.
What is the InChIKey of N-[2-[2-(4-cyanophenyl)-1,3-oxazol-4-yl]ethyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine-3-carboxamide?
The InChIKey is TYEXMPXKPYQMSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13F3N6O3/c22-21(23,24)20-29-17(30-33-20)14-7-15(10-26-9-14)18(31)27-6-5-16-11-32-19(28-16)13-3-1-12(8-25)2-4-13/h1-4,7,9-11H,5-6H2,(H,27,31).
What are the key properties of N-[2-[2-(4-cyanophenyl)-1,3-oxazol-4-yl]ethyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine-3-carboxamide?
N-[2-[2-(4-cyanophenyl)-1,3-oxazol-4-yl]ethyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine-3-carboxamide has a molecular weight of 454.37 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-cyanophenyl)-1,3-oxazol-4-yl]ethyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine-3-carboxamide is sourced from PubChem (CID 67380355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).