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

C27H25FN4O3 — CID 171347842

IUPAC(4-fluorophenyl)-[4-[[3-[3-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]phenoxy]methyl]piperidin-1-yl]methanone
SMILESCc1ccc(-c2noc(-c3cccc(OCC4CCN(C(=O)c5ccc(F)cc5)CC4)c3)n2)cn1
InChIInChI=1S/C27H25FN4O3/c1-18-5-6-22(16-29-18)25-30-26(35-31-25)21-3-2-4-24(15-21)34-17-19-11-13-32(14-12-19)27(33)20-7-9-23(28)10-8-20/h2-10,15-16,19H,11-14,17H2,1H3
InChIKeyOPPZOXFJKGKBKI-UHFFFAOYSA-N
MW472.52 g/mol
LogP5.18
Rot. Bonds6

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

(4-fluorophenyl)-[4-[[3-[3-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]phenoxy]methyl]piperidin-1-yl]methanone (PubChem CID 171347842) has the molecular formula C27H25FN4O3 and a molecular weight of 472.52 g/mol. Its IUPAC name is (4-fluorophenyl)-[4-[[3-[3-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]phenoxy]methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[4-[[3-[3-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]phenoxy]methyl]piperidin-1-yl]methanone
PubChem CID171347842
Molecular FormulaC27H25FN4O3
Molecular Weight472.52 g/mol
Exact Mass472.19
IUPAC Name(4-fluorophenyl)-[4-[[3-[3-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]phenoxy]methyl]piperidin-1-yl]methanone
SMILESCc1ccc(-c2noc(-c3cccc(OCC4CCN(C(=O)c5ccc(F)cc5)CC4)c3)n2)cn1
InChIInChI=1S/C27H25FN4O3/c1-18-5-6-22(16-29-18)25-30-26(35-31-25)21-3-2-4-24(15-21)34-17-19-11-13-32(14-12-19)27(33)20-7-9-23(28)10-8-20/h2-10,15-16,19H,11-14,17H2,1H3
InChIKeyOPPZOXFJKGKBKI-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

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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
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-(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
N-[(2R)-1-[4-[3-[3-fluoro-4-(5-phenyl-1,2,4-oxadiazol-3-yl)phenoxy]propyl]piperazin-1-yl]-1-oxopropan-2-yl]pyridine-3-carboxamide
CID 44373847
N-[(R)-2-(4-{3-[4-(5-Cyclopentylmethyl-[1,2,4]oxadiazol-3-yl)-3-fluoro-phenoxy]-propyl}-piperazin-1-yl)-1-methyl-2-oxo-ethyl]-2-(1,6-dihydro-pyridin-3-yl)-acetamide
CID 44374378

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[4-[[3-[3-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]phenoxy]methyl]piperidin-1-yl]methanone?
The IUPAC name of (4-fluorophenyl)-[4-[[3-[3-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]phenoxy]methyl]piperidin-1-yl]methanone (CID 171347842) is (4-fluorophenyl)-[4-[[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)-[4-[[3-[3-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]phenoxy]methyl]piperidin-1-yl]methanone?
The canonical SMILES for (4-fluorophenyl)-[4-[[3-[3-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]phenoxy]methyl]piperidin-1-yl]methanone is Cc1ccc(-c2noc(-c3cccc(OCC4CCN(C(=O)c5ccc(F)cc5)CC4)c3)n2)cn1.
What is the InChIKey of (4-fluorophenyl)-[4-[[3-[3-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]phenoxy]methyl]piperidin-1-yl]methanone?
The InChIKey is OPPZOXFJKGKBKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25FN4O3/c1-18-5-6-22(16-29-18)25-30-26(35-31-25)21-3-2-4-24(15-21)34-17-19-11-13-32(14-12-19)27(33)20-7-9-23(28)10-8-20/h2-10,15-16,19H,11-14,17H2,1H3.
What are the key properties of (4-fluorophenyl)-[4-[[3-[3-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]phenoxy]methyl]piperidin-1-yl]methanone?
(4-fluorophenyl)-[4-[[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)-[4-[[3-[3-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]phenoxy]methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 171347842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).