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

C21H16F3N5O4 — CID 67379524

IUPACN-[2-[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]ethyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine-3-carboxamide
SMILESCOc1ccc(-c2nc(CCNC(=O)c3cncc(-c4noc(C(F)(F)F)n4)c3)co2)cc1
InChIInChI=1S/C21H16F3N5O4/c1-31-16-4-2-12(3-5-16)19-27-15(11-32-19)6-7-26-18(30)14-8-13(9-25-10-14)17-28-20(33-29-17)21(22,23)24/h2-5,8-11H,6-7H2,1H3,(H,26,30)
InChIKeyHWOXOKBPYRHSBG-UHFFFAOYSA-N
MW459.38 g/mol
LogP3.79
Rot. Bonds7

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

N-[2-[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]ethyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine-3-carboxamide (PubChem CID 67379524) has the molecular formula C21H16F3N5O4 and a molecular weight of 459.38 g/mol. Its IUPAC name is N-[2-[2-(4-methoxyphenyl)-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-methoxyphenyl)-1,3-oxazol-4-yl]ethyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine-3-carboxamide
PubChem CID67379524
Molecular FormulaC21H16F3N5O4
Molecular Weight459.38 g/mol
Exact Mass459.12
IUPAC NameN-[2-[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]ethyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine-3-carboxamide
SMILESCOc1ccc(-c2nc(CCNC(=O)c3cncc(-c4noc(C(F)(F)F)n4)c3)co2)cc1
InChIInChI=1S/C21H16F3N5O4/c1-31-16-4-2-12(3-5-16)19-27-15(11-32-19)6-7-26-18(30)14-8-13(9-25-10-14)17-28-20(33-29-17)21(22,23)24/h2-5,8-11H,6-7H2,1H3,(H,26,30)
InChIKeyHWOXOKBPYRHSBG-UHFFFAOYSA-N
XLogP3.79
TPSA116.17 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.38
LogP ≤ 53.79
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-methoxyphenyl)-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-methoxyphenyl)-1,3-oxazol-4-yl]ethyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine-3-carboxamide (CID 67379524) is N-[2-[2-(4-methoxyphenyl)-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-methoxyphenyl)-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-methoxyphenyl)-1,3-oxazol-4-yl]ethyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine-3-carboxamide is COc1ccc(-c2nc(CCNC(=O)c3cncc(-c4noc(C(F)(F)F)n4)c3)co2)cc1.
What is the InChIKey of N-[2-[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]ethyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine-3-carboxamide?
The InChIKey is HWOXOKBPYRHSBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F3N5O4/c1-31-16-4-2-12(3-5-16)19-27-15(11-32-19)6-7-26-18(30)14-8-13(9-25-10-14)17-28-20(33-29-17)21(22,23)24/h2-5,8-11H,6-7H2,1H3,(H,26,30).
What are the key properties of N-[2-[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]ethyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine-3-carboxamide?
N-[2-[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]ethyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine-3-carboxamide has a molecular weight of 459.38 g/mol, XLogP of 3.79, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]ethyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine-3-carboxamide is sourced from PubChem (CID 67379524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).