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

C29H32N6O2 — CID 75220210

IUPACN-[5-methyl-6-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyrimidin-4-yl]oxy-1-(4-phenylphenyl)ethanimine
SMILESCC(=NOc1ncnc(N2CCC(c3nc(C(C)C)no3)CC2)c1C)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C29H32N6O2/c1-19(2)26-32-29(37-34-26)25-14-16-35(17-15-25)27-20(3)28(31-18-30-27)36-33-21(4)22-10-12-24(13-11-22)23-8-6-5-7-9-23/h5-13,18-19,25H,14-17H2,1-4H3
InChIKeyNFVODKQCBUEOPV-UHFFFAOYSA-N
MW496.62 g/mol
LogP6.15
Rot. Bonds7

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

N-[5-methyl-6-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyrimidin-4-yl]oxy-1-(4-phenylphenyl)ethanimine (PubChem CID 75220210) has the molecular formula C29H32N6O2 and a molecular weight of 496.62 g/mol. Its IUPAC name is N-[5-methyl-6-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyrimidin-4-yl]oxy-1-(4-phenylphenyl)ethanimine.

Molecular Properties

Compound NameN-[5-methyl-6-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyrimidin-4-yl]oxy-1-(4-phenylphenyl)ethanimine
PubChem CID75220210
Molecular FormulaC29H32N6O2
Molecular Weight496.62 g/mol
Exact Mass496.26
IUPAC NameN-[5-methyl-6-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyrimidin-4-yl]oxy-1-(4-phenylphenyl)ethanimine
SMILESCC(=NOc1ncnc(N2CCC(c3nc(C(C)C)no3)CC2)c1C)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C29H32N6O2/c1-19(2)26-32-29(37-34-26)25-14-16-35(17-15-25)27-20(3)28(31-18-30-27)36-33-21(4)22-10-12-24(13-11-22)23-8-6-5-7-9-23/h5-13,18-19,25H,14-17H2,1-4H3
InChIKeyNFVODKQCBUEOPV-UHFFFAOYSA-N
XLogP6.15
TPSA89.53 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.62
LogP ≤ 56.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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 N-[5-methyl-6-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyrimidin-4-yl]oxy-1-(4-phenylphenyl)ethanimine?
The IUPAC name of N-[5-methyl-6-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyrimidin-4-yl]oxy-1-(4-phenylphenyl)ethanimine (CID 75220210) is N-[5-methyl-6-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyrimidin-4-yl]oxy-1-(4-phenylphenyl)ethanimine.
What is the SMILES notation for N-[5-methyl-6-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyrimidin-4-yl]oxy-1-(4-phenylphenyl)ethanimine?
The canonical SMILES for N-[5-methyl-6-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyrimidin-4-yl]oxy-1-(4-phenylphenyl)ethanimine is CC(=NOc1ncnc(N2CCC(c3nc(C(C)C)no3)CC2)c1C)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-[5-methyl-6-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyrimidin-4-yl]oxy-1-(4-phenylphenyl)ethanimine?
The InChIKey is NFVODKQCBUEOPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N6O2/c1-19(2)26-32-29(37-34-26)25-14-16-35(17-15-25)27-20(3)28(31-18-30-27)36-33-21(4)22-10-12-24(13-11-22)23-8-6-5-7-9-23/h5-13,18-19,25H,14-17H2,1-4H3.
What are the key properties of N-[5-methyl-6-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyrimidin-4-yl]oxy-1-(4-phenylphenyl)ethanimine?
N-[5-methyl-6-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyrimidin-4-yl]oxy-1-(4-phenylphenyl)ethanimine has a molecular weight of 496.62 g/mol, XLogP of 6.15, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-methyl-6-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyrimidin-4-yl]oxy-1-(4-phenylphenyl)ethanimine is sourced from PubChem (CID 75220210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).