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

C20H14F3N5O3 — CID 67349844

IUPACN-[2-(2-phenyl-1,3-oxazol-4-yl)ethyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine-3-carboxamide
SMILESO=C(NCCc1coc(-c2ccccc2)n1)c1cncc(-c2noc(C(F)(F)F)n2)c1
InChIInChI=1S/C20H14F3N5O3/c21-20(22,23)19-27-16(28-31-19)13-8-14(10-24-9-13)17(29)25-7-6-15-11-30-18(26-15)12-4-2-1-3-5-12/h1-5,8-11H,6-7H2,(H,25,29)
InChIKeyCFRVLNNKSOFNDU-UHFFFAOYSA-N
MW429.36 g/mol
LogP3.78
Rot. Bonds6

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

N-[2-(2-phenyl-1,3-oxazol-4-yl)ethyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine-3-carboxamide (PubChem CID 67349844) has the molecular formula C20H14F3N5O3 and a molecular weight of 429.36 g/mol. Its IUPAC name is N-[2-(2-phenyl-1,3-oxazol-4-yl)ethyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-phenyl-1,3-oxazol-4-yl)ethyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine-3-carboxamide
PubChem CID67349844
Molecular FormulaC20H14F3N5O3
Molecular Weight429.36 g/mol
Exact Mass429.10
IUPAC NameN-[2-(2-phenyl-1,3-oxazol-4-yl)ethyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine-3-carboxamide
SMILESO=C(NCCc1coc(-c2ccccc2)n1)c1cncc(-c2noc(C(F)(F)F)n2)c1
InChIInChI=1S/C20H14F3N5O3/c21-20(22,23)19-27-16(28-31-19)13-8-14(10-24-9-13)17(29)25-7-6-15-11-30-18(26-15)12-4-2-1-3-5-12/h1-5,8-11H,6-7H2,(H,25,29)
InChIKeyCFRVLNNKSOFNDU-UHFFFAOYSA-N
XLogP3.78
TPSA106.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.36
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-phenyl-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-phenyl-1,3-oxazol-4-yl)ethyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine-3-carboxamide (CID 67349844) is N-[2-(2-phenyl-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-phenyl-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-phenyl-1,3-oxazol-4-yl)ethyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine-3-carboxamide is O=C(NCCc1coc(-c2ccccc2)n1)c1cncc(-c2noc(C(F)(F)F)n2)c1.
What is the InChIKey of N-[2-(2-phenyl-1,3-oxazol-4-yl)ethyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine-3-carboxamide?
The InChIKey is CFRVLNNKSOFNDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F3N5O3/c21-20(22,23)19-27-16(28-31-19)13-8-14(10-24-9-13)17(29)25-7-6-15-11-30-18(26-15)12-4-2-1-3-5-12/h1-5,8-11H,6-7H2,(H,25,29).
What are the key properties of N-[2-(2-phenyl-1,3-oxazol-4-yl)ethyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine-3-carboxamide?
N-[2-(2-phenyl-1,3-oxazol-4-yl)ethyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine-3-carboxamide has a molecular weight of 429.36 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-phenyl-1,3-oxazol-4-yl)ethyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine-3-carboxamide is sourced from PubChem (CID 67349844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).