5-[3-(5-methoxy-3-pyridinyl)phenyl]-5-(trifluoromethyl)-2,6-dihydro-1,4-oxazin-3-amine

C17H16F3N3O2 — CID 54761220

IUPAC5-[3-(5-methoxy-3-pyridinyl)phenyl]-5-(trifluoromethyl)-2,6-dihydro-1,4-oxazin-3-amine
SMILESCOc1cncc(-c2cccc(C3(C(F)(F)F)COCC(N)=N3)c2)c1
InChIInChI=1S/C17H16F3N3O2/c1-24-14-6-12(7-22-8-14)11-3-2-4-13(5-11)16(17(18,19)20)10-25-9-15(21)23-16/h2-8H,9-10H2,1H3,(H2,21,23)
InChIKeySLPJGIRXTLYWIY-UHFFFAOYSA-N
MW351.33 g/mol
LogP2.90
Rot. Bonds3

About 5-[3-(5-methoxy-3-pyridinyl)phenyl]-5-(trifluoromethyl)-2,6-dihydro-1,4-oxazin-3-amine

5-[3-(5-methoxy-3-pyridinyl)phenyl]-5-(trifluoromethyl)-2,6-dihydro-1,4-oxazin-3-amine (PubChem CID 54761220) has the molecular formula C17H16F3N3O2 and a molecular weight of 351.33 g/mol. Its IUPAC name is 5-[3-(5-methoxy-3-pyridinyl)phenyl]-5-(trifluoromethyl)-2,6-dihydro-1,4-oxazin-3-amine.

Molecular Properties

Compound Name5-[3-(5-methoxy-3-pyridinyl)phenyl]-5-(trifluoromethyl)-2,6-dihydro-1,4-oxazin-3-amine
PubChem CID54761220
Molecular FormulaC17H16F3N3O2
Molecular Weight351.33 g/mol
Exact Mass351.12
IUPAC Name5-[3-(5-methoxy-3-pyridinyl)phenyl]-5-(trifluoromethyl)-2,6-dihydro-1,4-oxazin-3-amine
SMILESCOc1cncc(-c2cccc(C3(C(F)(F)F)COCC(N)=N3)c2)c1
InChIInChI=1S/C17H16F3N3O2/c1-24-14-6-12(7-22-8-14)11-3-2-4-13(5-11)16(17(18,19)20)10-25-9-15(21)23-16/h2-8H,9-10H2,1H3,(H2,21,23)
InChIKeySLPJGIRXTLYWIY-UHFFFAOYSA-N
XLogP2.90
TPSA69.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.33
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[3-(5-methoxy-3-pyridinyl)phenyl]-5-(trifluoromethyl)morpholine-3-thione
CID 89497496
4-[3-(5-methoxy-3-pyridinyl)phenyl]-4-methyl-2-(trifluoromethyl)-7H-pyrazolo[1,5-a]pyrazin-6-amine
CID 56948645
3,3-difluoro-8-(4-methoxyphenyl)-8-[3-(5-methoxy-3-pyridinyl)phenyl]-2,4-dihydroimidazo[1,5-a]pyrimidin-6-amine
CID 24873271
4-[3-(5-methoxy-3-pyridinyl)phenyl]-2,4-dimethyl-7H-pyrazolo[1,5-a]pyrazin-6-amine
CID 66828840
6-[3-(5-methoxy-3-pyridinyl)phenyl]-6-methyl-5H-imidazo[1,2-a]pyrazin-8-amine
CID 67984353
4-(3-fluoro-4-methoxyphenyl)-4-[3-(5-methoxy-3-pyridinyl)phenyl]-5H-1,3-oxazole
CID 91605781
acetic acid;3,3-difluoro-8-(4-methoxyphenyl)-8-[3-(5-methoxy-3-pyridinyl)phenyl]-2,4-dihydroimidazo[1,5-a]pyrimidin-6-amine
CID 24873270
[[4-(4-methoxyphenyl)-4-[3-(5-methoxy-3-pyridinyl)phenyl]-5H-1,3-oxazol-2-yl]amino] formate
CID 87365849
5-[3-[5-(methylamino)-3-pyridinyl]phenyl]-5-(trifluoromethyl)morpholine-3-thione
CID 123725755
2-[3-(3-methoxyphenyl)phenyl]-2-methyl-5H-1,3-thiazol-4-amine
CID 71680849
5',5'-difluoro-6-(5-methoxy-3-pyridinyl)spiro[2,3-dihydrochromene-4,4'-6H-1,3-oxazine]-2'-amine
CID 71059678
4-(5-methoxy-3-pyridinyl)pyridin-2-amine
CID 104877368

Frequently Asked Questions

What is the IUPAC name of 5-[3-(5-methoxy-3-pyridinyl)phenyl]-5-(trifluoromethyl)-2,6-dihydro-1,4-oxazin-3-amine?
The IUPAC name of 5-[3-(5-methoxy-3-pyridinyl)phenyl]-5-(trifluoromethyl)-2,6-dihydro-1,4-oxazin-3-amine (CID 54761220) is 5-[3-(5-methoxy-3-pyridinyl)phenyl]-5-(trifluoromethyl)-2,6-dihydro-1,4-oxazin-3-amine.
What is the SMILES notation for 5-[3-(5-methoxy-3-pyridinyl)phenyl]-5-(trifluoromethyl)-2,6-dihydro-1,4-oxazin-3-amine?
The canonical SMILES for 5-[3-(5-methoxy-3-pyridinyl)phenyl]-5-(trifluoromethyl)-2,6-dihydro-1,4-oxazin-3-amine is COc1cncc(-c2cccc(C3(C(F)(F)F)COCC(N)=N3)c2)c1.
What is the InChIKey of 5-[3-(5-methoxy-3-pyridinyl)phenyl]-5-(trifluoromethyl)-2,6-dihydro-1,4-oxazin-3-amine?
The InChIKey is SLPJGIRXTLYWIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N3O2/c1-24-14-6-12(7-22-8-14)11-3-2-4-13(5-11)16(17(18,19)20)10-25-9-15(21)23-16/h2-8H,9-10H2,1H3,(H2,21,23).
What are the key properties of 5-[3-(5-methoxy-3-pyridinyl)phenyl]-5-(trifluoromethyl)-2,6-dihydro-1,4-oxazin-3-amine?
5-[3-(5-methoxy-3-pyridinyl)phenyl]-5-(trifluoromethyl)-2,6-dihydro-1,4-oxazin-3-amine has a molecular weight of 351.33 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(5-methoxy-3-pyridinyl)phenyl]-5-(trifluoromethyl)-2,6-dihydro-1,4-oxazin-3-amine is sourced from PubChem (CID 54761220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).