5-[3-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methoxy]phenyl]-3-(6-methyl-3-pyridinyl)-1,2,4-oxadiazole

C28H30N4O2 — CID 171342631

IUPAC5-[3-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methoxy]phenyl]-3-(6-methyl-3-pyridinyl)-1,2,4-oxadiazole
SMILESCc1ccc(CN2CCC(COc3cccc(-c4nc(-c5ccc(C)nc5)no4)c3)CC2)cc1
InChIInChI=1S/C28H30N4O2/c1-20-6-9-22(10-7-20)18-32-14-12-23(13-15-32)19-33-26-5-3-4-24(16-26)28-30-27(31-34-28)25-11-8-21(2)29-17-25/h3-11,16-17,23H,12-15,18-19H2,1-2H3
InChIKeyQWLVCNXTBRNRDJ-UHFFFAOYSA-N
MW454.57 g/mol
LogP5.71
Rot. Bonds7

About 5-[3-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methoxy]phenyl]-3-(6-methyl-3-pyridinyl)-1,2,4-oxadiazole

5-[3-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methoxy]phenyl]-3-(6-methyl-3-pyridinyl)-1,2,4-oxadiazole (PubChem CID 171342631) has the molecular formula C28H30N4O2 and a molecular weight of 454.57 g/mol. Its IUPAC name is 5-[3-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methoxy]phenyl]-3-(6-methyl-3-pyridinyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[3-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methoxy]phenyl]-3-(6-methyl-3-pyridinyl)-1,2,4-oxadiazole
PubChem CID171342631
Molecular FormulaC28H30N4O2
Molecular Weight454.57 g/mol
Exact Mass454.24
IUPAC Name5-[3-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methoxy]phenyl]-3-(6-methyl-3-pyridinyl)-1,2,4-oxadiazole
SMILESCc1ccc(CN2CCC(COc3cccc(-c4nc(-c5ccc(C)nc5)no4)c3)CC2)cc1
InChIInChI=1S/C28H30N4O2/c1-20-6-9-22(10-7-20)18-32-14-12-23(13-15-32)19-33-26-5-3-4-24(16-26)28-30-27(31-34-28)25-11-8-21(2)29-17-25/h3-11,16-17,23H,12-15,18-19H2,1-2H3
InChIKeyQWLVCNXTBRNRDJ-UHFFFAOYSA-N
XLogP5.71
TPSA64.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.57
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-[3-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methoxy]phenyl]-3-(6-methyl-3-pyridinyl)-1,2,4-oxadiazole with MolForge

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Related Compounds

4-[5-(2-Ethoxyphenyl)-1,2,4-oxadiazol-3-yl]pyridine
CID 891438
Cym5181
CID 976135
2-(Methylamino)triazine 59
CID 23646935
N-(3-isopropylphenyl)-4-methyl-3-(3-(4-(methylamino)-1,3,5-triazin-2-yl)pyridin-2-yloxy)benzamide
CID 44440292
2-[5-(3-Methoxy-phenyl)-[1,2,4]oxadiazol-3-yl]-pyridine
CID 789864
3-(Pyridin-2-yl)-5-[3-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole
CID 9948499
4-[5-(3-Methoxyphenyl)-1,2,4-oxadiazol-3-yl]pyridine
CID 789859
3-(2-Ethoxy-6-phenylpyridin-3-yl)-5-pyridin-4-yl-1,2,4-oxadiazole
CID 645805
2-Methoxy-6-phenyl-3-[5-(pyridin-3-yl)-1,2,4-oxadiazol-3-yl]pyridine
CID 663734
3-(2-Ethoxy-6-methylpyridin-3-yl)-5-pyridin-4-yl-1,2,4-oxadiazole
CID 913909
N-{4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl}isonicotinamide
CID 1292479
N-{4-[5-(4-methoxybenzyl)-1,2,4-oxadiazol-3-yl]phenyl}nicotinamide
CID 3242078

Frequently Asked Questions

What is the IUPAC name of 5-[3-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methoxy]phenyl]-3-(6-methyl-3-pyridinyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[3-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methoxy]phenyl]-3-(6-methyl-3-pyridinyl)-1,2,4-oxadiazole (CID 171342631) is 5-[3-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methoxy]phenyl]-3-(6-methyl-3-pyridinyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[3-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methoxy]phenyl]-3-(6-methyl-3-pyridinyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[3-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methoxy]phenyl]-3-(6-methyl-3-pyridinyl)-1,2,4-oxadiazole is Cc1ccc(CN2CCC(COc3cccc(-c4nc(-c5ccc(C)nc5)no4)c3)CC2)cc1.
What is the InChIKey of 5-[3-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methoxy]phenyl]-3-(6-methyl-3-pyridinyl)-1,2,4-oxadiazole?
The InChIKey is QWLVCNXTBRNRDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N4O2/c1-20-6-9-22(10-7-20)18-32-14-12-23(13-15-32)19-33-26-5-3-4-24(16-26)28-30-27(31-34-28)25-11-8-21(2)29-17-25/h3-11,16-17,23H,12-15,18-19H2,1-2H3.
What are the key properties of 5-[3-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methoxy]phenyl]-3-(6-methyl-3-pyridinyl)-1,2,4-oxadiazole?
5-[3-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methoxy]phenyl]-3-(6-methyl-3-pyridinyl)-1,2,4-oxadiazole has a molecular weight of 454.57 g/mol, XLogP of 5.71, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methoxy]phenyl]-3-(6-methyl-3-pyridinyl)-1,2,4-oxadiazole is sourced from PubChem (CID 171342631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).