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

C17H13F3N4O3 — CID 71558280

IUPACN-[2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]ethyl]pyridine-2-carboxamide
SMILESO=C(NCCOc1ccc(-c2noc(C(F)(F)F)n2)cc1)c1ccccn1
InChIInChI=1S/C17H13F3N4O3/c18-17(19,20)16-23-14(24-27-16)11-4-6-12(7-5-11)26-10-9-22-15(25)13-3-1-2-8-21-13/h1-8H,9-10H2,(H,22,25)
InChIKeyOPKDHSHXIWHAHV-UHFFFAOYSA-N
MW378.31 g/mol
LogP2.96
Rot. Bonds6

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

N-[2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]ethyl]pyridine-2-carboxamide (PubChem CID 71558280) has the molecular formula C17H13F3N4O3 and a molecular weight of 378.31 g/mol. Its IUPAC name is N-[2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]ethyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]ethyl]pyridine-2-carboxamide
PubChem CID71558280
Molecular FormulaC17H13F3N4O3
Molecular Weight378.31 g/mol
Exact Mass378.09
IUPAC NameN-[2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]ethyl]pyridine-2-carboxamide
SMILESO=C(NCCOc1ccc(-c2noc(C(F)(F)F)n2)cc1)c1ccccn1
InChIInChI=1S/C17H13F3N4O3/c18-17(19,20)16-23-14(24-27-16)11-4-6-12(7-5-11)26-10-9-22-15(25)13-3-1-2-8-21-13/h1-8H,9-10H2,(H,22,25)
InChIKeyOPKDHSHXIWHAHV-UHFFFAOYSA-N
XLogP2.96
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.31
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]ethyl]pyridine-2-carboxamide?
The IUPAC name of N-[2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]ethyl]pyridine-2-carboxamide (CID 71558280) is N-[2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]ethyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]ethyl]pyridine-2-carboxamide?
The canonical SMILES for N-[2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]ethyl]pyridine-2-carboxamide is O=C(NCCOc1ccc(-c2noc(C(F)(F)F)n2)cc1)c1ccccn1.
What is the InChIKey of N-[2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]ethyl]pyridine-2-carboxamide?
The InChIKey is OPKDHSHXIWHAHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N4O3/c18-17(19,20)16-23-14(24-27-16)11-4-6-12(7-5-11)26-10-9-22-15(25)13-3-1-2-8-21-13/h1-8H,9-10H2,(H,22,25).
What are the key properties of N-[2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]ethyl]pyridine-2-carboxamide?
N-[2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]ethyl]pyridine-2-carboxamide has a molecular weight of 378.31 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 71558280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).