(Z)-N-[5-methyl-6-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyrimidin-4-yl]oxy-1-[4-(trifluoromethoxy)phenyl]ethanimine

C24H27F3N6O3 — CID 46847477

IUPAC(Z)-N-[5-methyl-6-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyrimidin-4-yl]oxy-1-[4-(trifluoromethoxy)phenyl]ethanimine
SMILESC/C(=N/Oc1ncnc(N2CCC(c3nc(C(C)C)no3)CC2)c1C)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C24H27F3N6O3/c1-14(2)20-30-23(36-32-20)18-9-11-33(12-10-18)21-15(3)22(29-13-28-21)35-31-16(4)17-5-7-19(8-6-17)34-24(25,26)27/h5-8,13-14,18H,9-12H2,1-4H3/b31-16-
InChIKeyBPVWWJINODEIQZ-ACXHZZMFSA-N
MW504.51 g/mol
LogP5.38
Rot. Bonds7

About (Z)-N-[5-methyl-6-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyrimidin-4-yl]oxy-1-[4-(trifluoromethoxy)phenyl]ethanimine

(Z)-N-[5-methyl-6-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyrimidin-4-yl]oxy-1-[4-(trifluoromethoxy)phenyl]ethanimine (PubChem CID 46847477) has the molecular formula C24H27F3N6O3 and a molecular weight of 504.51 g/mol. Its IUPAC name is (Z)-N-[5-methyl-6-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyrimidin-4-yl]oxy-1-[4-(trifluoromethoxy)phenyl]ethanimine.

Molecular Properties

Compound Name(Z)-N-[5-methyl-6-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyrimidin-4-yl]oxy-1-[4-(trifluoromethoxy)phenyl]ethanimine
PubChem CID46847477
Molecular FormulaC24H27F3N6O3
Molecular Weight504.51 g/mol
Exact Mass504.21
IUPAC Name(Z)-N-[5-methyl-6-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyrimidin-4-yl]oxy-1-[4-(trifluoromethoxy)phenyl]ethanimine
SMILESC/C(=N/Oc1ncnc(N2CCC(c3nc(C(C)C)no3)CC2)c1C)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C24H27F3N6O3/c1-14(2)20-30-23(36-32-20)18-9-11-33(12-10-18)21-15(3)22(29-13-28-21)35-31-16(4)17-5-7-19(8-6-17)34-24(25,26)27/h5-8,13-14,18H,9-12H2,1-4H3/b31-16-
InChIKeyBPVWWJINODEIQZ-ACXHZZMFSA-N
XLogP5.38
TPSA98.76 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.51
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-[5-methyl-6-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyrimidin-4-yl]oxy-1-[4-(trifluoromethoxy)phenyl]ethanimine?
The IUPAC name of (Z)-N-[5-methyl-6-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyrimidin-4-yl]oxy-1-[4-(trifluoromethoxy)phenyl]ethanimine (CID 46847477) is (Z)-N-[5-methyl-6-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyrimidin-4-yl]oxy-1-[4-(trifluoromethoxy)phenyl]ethanimine.
What is the SMILES notation for (Z)-N-[5-methyl-6-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyrimidin-4-yl]oxy-1-[4-(trifluoromethoxy)phenyl]ethanimine?
The canonical SMILES for (Z)-N-[5-methyl-6-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyrimidin-4-yl]oxy-1-[4-(trifluoromethoxy)phenyl]ethanimine is C/C(=N/Oc1ncnc(N2CCC(c3nc(C(C)C)no3)CC2)c1C)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of (Z)-N-[5-methyl-6-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyrimidin-4-yl]oxy-1-[4-(trifluoromethoxy)phenyl]ethanimine?
The InChIKey is BPVWWJINODEIQZ-ACXHZZMFSA-N. The full InChI is InChI=1S/C24H27F3N6O3/c1-14(2)20-30-23(36-32-20)18-9-11-33(12-10-18)21-15(3)22(29-13-28-21)35-31-16(4)17-5-7-19(8-6-17)34-24(25,26)27/h5-8,13-14,18H,9-12H2,1-4H3/b31-16-.
What are the key properties of (Z)-N-[5-methyl-6-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyrimidin-4-yl]oxy-1-[4-(trifluoromethoxy)phenyl]ethanimine?
(Z)-N-[5-methyl-6-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyrimidin-4-yl]oxy-1-[4-(trifluoromethoxy)phenyl]ethanimine has a molecular weight of 504.51 g/mol, XLogP of 5.38, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[5-methyl-6-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyrimidin-4-yl]oxy-1-[4-(trifluoromethoxy)phenyl]ethanimine is sourced from PubChem (CID 46847477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).