5-[3-(6-methoxypyrimidin-4-yl)oxyphenyl]-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine

C20H14F3N5O3 — CID 118135615

IUPAC5-[3-(6-methoxypyrimidin-4-yl)oxyphenyl]-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine
SMILESCOc1cc(Oc2cccc(-c3nnc(Nc4cccc(C(F)(F)F)c4)o3)c2)ncn1
InChIInChI=1S/C20H14F3N5O3/c1-29-16-10-17(25-11-24-16)30-15-7-2-4-12(8-15)18-27-28-19(31-18)26-14-6-3-5-13(9-14)20(21,22)23/h2-11H,1H3,(H,26,28)
InChIKeyXDCPKRALUAYVQG-UHFFFAOYSA-N
MW429.36 g/mol
LogP5.09
Rot. Bonds6

About 5-[3-(6-methoxypyrimidin-4-yl)oxyphenyl]-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine

5-[3-(6-methoxypyrimidin-4-yl)oxyphenyl]-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine (PubChem CID 118135615) has the molecular formula C20H14F3N5O3 and a molecular weight of 429.36 g/mol. Its IUPAC name is 5-[3-(6-methoxypyrimidin-4-yl)oxyphenyl]-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[3-(6-methoxypyrimidin-4-yl)oxyphenyl]-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine
PubChem CID118135615
Molecular FormulaC20H14F3N5O3
Molecular Weight429.36 g/mol
Exact Mass429.10
IUPAC Name5-[3-(6-methoxypyrimidin-4-yl)oxyphenyl]-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine
SMILESCOc1cc(Oc2cccc(-c3nnc(Nc4cccc(C(F)(F)F)c4)o3)c2)ncn1
InChIInChI=1S/C20H14F3N5O3/c1-29-16-10-17(25-11-24-16)30-15-7-2-4-12(8-15)18-27-28-19(31-18)26-14-6-3-5-13(9-14)20(21,22)23/h2-11H,1H3,(H,26,28)
InChIKeyXDCPKRALUAYVQG-UHFFFAOYSA-N
XLogP5.09
TPSA95.19 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.36
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5-[3-(6-methoxypyrimidin-4-yl)oxyphenyl]-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine with MolForge

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Related Compounds

4,6-bis[3-(trifluoromethyl)phenoxy]pyrimidine
CID 11516885
5-(2-bromophenyl)-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine
CID 59152546
N-tert-butyl-5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-amine
CID 110456066
4-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)-N-[3-(trifluoromethyl)phenyl]pyridin-2-amine
CID 68663950
2-methyl-5-[6-[3-(trifluoromethyl)phenoxy]-2-pyridinyl]-1,3,4-oxadiazole
CID 18921384
3-(6-methoxypyrimidin-4-yl)oxyaniline
CID 66319653
5-(2-aminoethyl)-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine
CID 106966399
5-[3-(2-pyridin-4-ylethyl)-4-pyridinyl]-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine
CID 23644859
2-[4-[(4-methoxyphenoxy)methyl]phenyl]-5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazole
CID 19550338
4-methylsulfanyl-2,6-bis[3-(trifluoromethyl)phenoxy]pyridine
CID 21471060
N-(2-methoxyphenyl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine
CID 118611400
2-methyl-N-[[5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
CID 62137593

Frequently Asked Questions

What is the IUPAC name of 5-[3-(6-methoxypyrimidin-4-yl)oxyphenyl]-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[3-(6-methoxypyrimidin-4-yl)oxyphenyl]-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine (CID 118135615) is 5-[3-(6-methoxypyrimidin-4-yl)oxyphenyl]-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[3-(6-methoxypyrimidin-4-yl)oxyphenyl]-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[3-(6-methoxypyrimidin-4-yl)oxyphenyl]-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine is COc1cc(Oc2cccc(-c3nnc(Nc4cccc(C(F)(F)F)c4)o3)c2)ncn1.
What is the InChIKey of 5-[3-(6-methoxypyrimidin-4-yl)oxyphenyl]-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is XDCPKRALUAYVQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F3N5O3/c1-29-16-10-17(25-11-24-16)30-15-7-2-4-12(8-15)18-27-28-19(31-18)26-14-6-3-5-13(9-14)20(21,22)23/h2-11H,1H3,(H,26,28).
What are the key properties of 5-[3-(6-methoxypyrimidin-4-yl)oxyphenyl]-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine?
5-[3-(6-methoxypyrimidin-4-yl)oxyphenyl]-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 429.36 g/mol, XLogP of 5.09, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(6-methoxypyrimidin-4-yl)oxyphenyl]-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 118135615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).