3-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[6-(trifluoromethyl)-3-pyridinyl]propanamide

C17H11ClF4N4O2 — CID 25034003

IUPAC3-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[6-(trifluoromethyl)-3-pyridinyl]propanamide
SMILESO=C(CCc1nc(-c2ccc(F)cc2Cl)no1)Nc1ccc(C(F)(F)F)nc1
InChIInChI=1S/C17H11ClF4N4O2/c18-12-7-9(19)1-3-11(12)16-25-15(28-26-16)6-5-14(27)24-10-2-4-13(23-8-10)17(20,21)22/h1-4,7-8H,5-6H2,(H,24,27)
InChIKeyOEKIQSIIDRYSEZ-UHFFFAOYSA-N
MW414.75 g/mol
LogP4.51
Rot. Bonds5

About 3-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[6-(trifluoromethyl)-3-pyridinyl]propanamide

3-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[6-(trifluoromethyl)-3-pyridinyl]propanamide (PubChem CID 25034003) has the molecular formula C17H11ClF4N4O2 and a molecular weight of 414.75 g/mol. Its IUPAC name is 3-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[6-(trifluoromethyl)-3-pyridinyl]propanamide.

Molecular Properties

Compound Name3-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[6-(trifluoromethyl)-3-pyridinyl]propanamide
PubChem CID25034003
Molecular FormulaC17H11ClF4N4O2
Molecular Weight414.75 g/mol
Exact Mass414.05
IUPAC Name3-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[6-(trifluoromethyl)-3-pyridinyl]propanamide
SMILESO=C(CCc1nc(-c2ccc(F)cc2Cl)no1)Nc1ccc(C(F)(F)F)nc1
InChIInChI=1S/C17H11ClF4N4O2/c18-12-7-9(19)1-3-11(12)16-25-15(28-26-16)6-5-14(27)24-10-2-4-13(23-8-10)17(20,21)22/h1-4,7-8H,5-6H2,(H,24,27)
InChIKeyOEKIQSIIDRYSEZ-UHFFFAOYSA-N
XLogP4.51
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.75
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[6-(trifluoromethyl)-3-pyridinyl]propanamide?
The IUPAC name of 3-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[6-(trifluoromethyl)-3-pyridinyl]propanamide (CID 25034003) is 3-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[6-(trifluoromethyl)-3-pyridinyl]propanamide.
What is the SMILES notation for 3-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[6-(trifluoromethyl)-3-pyridinyl]propanamide?
The canonical SMILES for 3-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[6-(trifluoromethyl)-3-pyridinyl]propanamide is O=C(CCc1nc(-c2ccc(F)cc2Cl)no1)Nc1ccc(C(F)(F)F)nc1.
What is the InChIKey of 3-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[6-(trifluoromethyl)-3-pyridinyl]propanamide?
The InChIKey is OEKIQSIIDRYSEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClF4N4O2/c18-12-7-9(19)1-3-11(12)16-25-15(28-26-16)6-5-14(27)24-10-2-4-13(23-8-10)17(20,21)22/h1-4,7-8H,5-6H2,(H,24,27).
What are the key properties of 3-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[6-(trifluoromethyl)-3-pyridinyl]propanamide?
3-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[6-(trifluoromethyl)-3-pyridinyl]propanamide has a molecular weight of 414.75 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[6-(trifluoromethyl)-3-pyridinyl]propanamide is sourced from PubChem (CID 25034003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).