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

C14H13F3N4O3 — CID 134366972

IUPACN-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]oxazinane-2-carboxamide
SMILESO=C(Nc1ccc(-c2noc(C(F)(F)F)n2)cc1)N1CCCCO1
InChIInChI=1S/C14H13F3N4O3/c15-14(16,17)12-19-11(20-24-12)9-3-5-10(6-4-9)18-13(22)21-7-1-2-8-23-21/h3-6H,1-2,7-8H2,(H,18,22)
InChIKeyOCWJPYASMXOEIJ-UHFFFAOYSA-N
MW342.28 g/mol
LogP3.31
Rot. Bonds2

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

N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]oxazinane-2-carboxamide (PubChem CID 134366972) has the molecular formula C14H13F3N4O3 and a molecular weight of 342.28 g/mol. Its IUPAC name is N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]oxazinane-2-carboxamide.

Molecular Properties

Compound NameN-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]oxazinane-2-carboxamide
PubChem CID134366972
Molecular FormulaC14H13F3N4O3
Molecular Weight342.28 g/mol
Exact Mass342.09
IUPAC NameN-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]oxazinane-2-carboxamide
SMILESO=C(Nc1ccc(-c2noc(C(F)(F)F)n2)cc1)N1CCCCO1
InChIInChI=1S/C14H13F3N4O3/c15-14(16,17)12-19-11(20-24-12)9-3-5-10(6-4-9)18-13(22)21-7-1-2-8-23-21/h3-6H,1-2,7-8H2,(H,18,22)
InChIKeyOCWJPYASMXOEIJ-UHFFFAOYSA-N
XLogP3.31
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.28
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]cyclobutanecarboxamide
CID 134367045
N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 19847727
4-(hydroxymethyl)-N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]piperidine-1-carboxamide
CID 126769950
1-fluoro-N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]cyclopropane-1-carboxamide
CID 134366998
4-(1-hydroxyethyl)-N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]piperidine-1-carboxamide
CID 126775780
pyrrolidin-1-yl-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanone
CID 71230722
N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]piperidine-3-carboxamide
CID 119314187
2-methyl-N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]propanamide
CID 134367043
azepan-1-yl-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanone
CID 86777416
N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]piperidine-4-carboxamide
CID 119314177
N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]thiane-4-carboxamide
CID 151555059
2-[(phenylcarbamoylamino)methyl]-N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]piperidine-1-carboxamide
CID 135183952

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]oxazinane-2-carboxamide?
The IUPAC name of N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]oxazinane-2-carboxamide (CID 134366972) is N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]oxazinane-2-carboxamide.
What is the SMILES notation for N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]oxazinane-2-carboxamide?
The canonical SMILES for N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]oxazinane-2-carboxamide is O=C(Nc1ccc(-c2noc(C(F)(F)F)n2)cc1)N1CCCCO1.
What is the InChIKey of N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]oxazinane-2-carboxamide?
The InChIKey is OCWJPYASMXOEIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N4O3/c15-14(16,17)12-19-11(20-24-12)9-3-5-10(6-4-9)18-13(22)21-7-1-2-8-23-21/h3-6H,1-2,7-8H2,(H,18,22).
What are the key properties of N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]oxazinane-2-carboxamide?
N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]oxazinane-2-carboxamide has a molecular weight of 342.28 g/mol, XLogP of 3.31, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]oxazinane-2-carboxamide is sourced from PubChem (CID 134366972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).