(4-fluorophenyl)-[3-[[3-[3-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]phenoxy]methyl]piperidin-1-yl]methanone

C27H25FN4O3 — CID 171342764

IUPAC(4-fluorophenyl)-[3-[[3-[3-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]phenoxy]methyl]piperidin-1-yl]methanone
SMILESCc1ccc(-c2noc(-c3cccc(OCC4CCCN(C(=O)c5ccc(F)cc5)C4)c3)n2)cn1
InChIInChI=1S/C27H25FN4O3/c1-18-7-8-22(15-29-18)25-30-26(35-31-25)21-5-2-6-24(14-21)34-17-19-4-3-13-32(16-19)27(33)20-9-11-23(28)12-10-20/h2,5-12,14-15,19H,3-4,13,16-17H2,1H3
InChIKeyPUYUYZSBFPDXTD-UHFFFAOYSA-N
MW472.52 g/mol
LogP5.18
Rot. Bonds6

About (4-fluorophenyl)-[3-[[3-[3-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]phenoxy]methyl]piperidin-1-yl]methanone

(4-fluorophenyl)-[3-[[3-[3-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]phenoxy]methyl]piperidin-1-yl]methanone (PubChem CID 171342764) has the molecular formula C27H25FN4O3 and a molecular weight of 472.52 g/mol. Its IUPAC name is (4-fluorophenyl)-[3-[[3-[3-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]phenoxy]methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[3-[[3-[3-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]phenoxy]methyl]piperidin-1-yl]methanone
PubChem CID171342764
Molecular FormulaC27H25FN4O3
Molecular Weight472.52 g/mol
Exact Mass472.19
IUPAC Name(4-fluorophenyl)-[3-[[3-[3-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]phenoxy]methyl]piperidin-1-yl]methanone
SMILESCc1ccc(-c2noc(-c3cccc(OCC4CCCN(C(=O)c5ccc(F)cc5)C4)c3)n2)cn1
InChIInChI=1S/C27H25FN4O3/c1-18-7-8-22(15-29-18)25-30-26(35-31-25)21-5-2-6-24(14-21)34-17-19-4-3-13-32(16-19)27(33)20-9-11-23(28)12-10-20/h2,5-12,14-15,19H,3-4,13,16-17H2,1H3
InChIKeyPUYUYZSBFPDXTD-UHFFFAOYSA-N
XLogP5.18
TPSA81.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.52
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (4-fluorophenyl)-[3-[[3-[3-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]phenoxy]methyl]piperidin-1-yl]methanone with MolForge

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Related Compounds

Cym5181
CID 976135
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
3-[5-(2-Fluorophenyl)-1,2,4-oxadiazol-3-yl]-2-methoxy-6-(4-methoxyphenyl)pyridine
CID 2021036
N-{4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl}nicotinamide
CID 3244925
2-Methoxy-3-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-6-phenylpyridine
CID 4034528
3-[5-(3,4-Diethoxyphenyl)-1,2,4-oxadiazol-3-yl]pyridine
CID 976282

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[3-[[3-[3-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]phenoxy]methyl]piperidin-1-yl]methanone?
The IUPAC name of (4-fluorophenyl)-[3-[[3-[3-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]phenoxy]methyl]piperidin-1-yl]methanone (CID 171342764) is (4-fluorophenyl)-[3-[[3-[3-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]phenoxy]methyl]piperidin-1-yl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[3-[[3-[3-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]phenoxy]methyl]piperidin-1-yl]methanone?
The canonical SMILES for (4-fluorophenyl)-[3-[[3-[3-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]phenoxy]methyl]piperidin-1-yl]methanone is Cc1ccc(-c2noc(-c3cccc(OCC4CCCN(C(=O)c5ccc(F)cc5)C4)c3)n2)cn1.
What is the InChIKey of (4-fluorophenyl)-[3-[[3-[3-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]phenoxy]methyl]piperidin-1-yl]methanone?
The InChIKey is PUYUYZSBFPDXTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25FN4O3/c1-18-7-8-22(15-29-18)25-30-26(35-31-25)21-5-2-6-24(14-21)34-17-19-4-3-13-32(16-19)27(33)20-9-11-23(28)12-10-20/h2,5-12,14-15,19H,3-4,13,16-17H2,1H3.
What are the key properties of (4-fluorophenyl)-[3-[[3-[3-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]phenoxy]methyl]piperidin-1-yl]methanone?
(4-fluorophenyl)-[3-[[3-[3-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]phenoxy]methyl]piperidin-1-yl]methanone has a molecular weight of 472.52 g/mol, XLogP of 5.18, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[3-[[3-[3-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]phenoxy]methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 171342764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).