4-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]-5-methyl-2-(4-pyridin-4-ylphenyl)-1,3-oxazole

C27H26FN3O — CID 172549682

IUPAC4-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]-5-methyl-2-(4-pyridin-4-ylphenyl)-1,3-oxazole
SMILESCc1oc(-c2ccc(-c3ccncc3)cc2)nc1CN1CCC(c2ccc(F)cc2)CC1
InChIInChI=1S/C27H26FN3O/c1-19-26(18-31-16-12-23(13-17-31)21-6-8-25(28)9-7-21)30-27(32-19)24-4-2-20(3-5-24)22-10-14-29-15-11-22/h2-11,14-15,23H,12-13,16-18H2,1H3
InChIKeyXPIVORNVTBHREU-UHFFFAOYSA-N
MW427.52 g/mol
LogP6.23
Rot. Bonds5

About 4-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]-5-methyl-2-(4-pyridin-4-ylphenyl)-1,3-oxazole

4-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]-5-methyl-2-(4-pyridin-4-ylphenyl)-1,3-oxazole (PubChem CID 172549682) has the molecular formula C27H26FN3O and a molecular weight of 427.52 g/mol. Its IUPAC name is 4-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]-5-methyl-2-(4-pyridin-4-ylphenyl)-1,3-oxazole.

Molecular Properties

Compound Name4-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]-5-methyl-2-(4-pyridin-4-ylphenyl)-1,3-oxazole
PubChem CID172549682
Molecular FormulaC27H26FN3O
Molecular Weight427.52 g/mol
Exact Mass427.21
IUPAC Name4-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]-5-methyl-2-(4-pyridin-4-ylphenyl)-1,3-oxazole
SMILESCc1oc(-c2ccc(-c3ccncc3)cc2)nc1CN1CCC(c2ccc(F)cc2)CC1
InChIInChI=1S/C27H26FN3O/c1-19-26(18-31-16-12-23(13-17-31)21-6-8-25(28)9-7-21)30-27(32-19)24-4-2-20(3-5-24)22-10-14-29-15-11-22/h2-11,14-15,23H,12-13,16-18H2,1H3
InChIKeyXPIVORNVTBHREU-UHFFFAOYSA-N
XLogP6.23
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.52
LogP ≤ 56.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]-5-methyl-2-(4-pyridin-4-ylphenyl)-1,3-oxazole with MolForge

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Related Compounds

1-Oxo-1-[5-(2-pyridyl)oxazol-2-yl]-3-(4-(benzyloxy)phenyl)propane
CID 16735159
3-(4-(Phenoxymethyl)phenyl)-1-(5-(pyridin-2-yl)oxazol-2-yl)propan-1-one
CID 16736226
3-(4-Phenylphenyl)-1-[5-(pyridin-2-yl)-1,3-oxazol-2-yl]propan-1-one
CID 16737951
4-[3-(4-Fluorophenyl)furo[3,2-b]pyridin-2-yl]pyridine
CID 10935149
4-[4-(4-Fluorophenyl)-1,3-oxazol-5-yl]pyridine
CID 16638995
1-Oxo-1-[5-(2-pyridyl)oxazol-2-yl]-3-(3-(benzyloxy)phenyl)-propane
CID 16735160
1-Oxo-1-[5-(2-pyridyl)oxazol-2-yl]-3-(4-phenoxyphenyl)propane
CID 16735161
1-Oxo-1-[5-(2-pyridyl)oxazol-2-yl]-3-(4-benzylphenyl)propane
CID 16735162
1-Oxo-1-[5-(2-pyridyl)oxazol-2-yl]-7-(o-tolyl)heptane
CID 16735381
1-Oxo-1-[5-(2-pyridyl)oxazol-2-yl]-7-(p-tolyl)heptane
CID 16735382
7-(3-Fluorophenyl)-1-[5-(pyridin-2-yl)-1,3-oxazol-2-yl]heptan-1-one
CID 16735386
1-[5-(Pyridin-2-yl)-1,3-oxazol-2-yl]-7-[4-(trifluoromethyl)phenyl]heptan-1-one
CID 16736220

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]-5-methyl-2-(4-pyridin-4-ylphenyl)-1,3-oxazole?
The IUPAC name of 4-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]-5-methyl-2-(4-pyridin-4-ylphenyl)-1,3-oxazole (CID 172549682) is 4-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]-5-methyl-2-(4-pyridin-4-ylphenyl)-1,3-oxazole.
What is the SMILES notation for 4-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]-5-methyl-2-(4-pyridin-4-ylphenyl)-1,3-oxazole?
The canonical SMILES for 4-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]-5-methyl-2-(4-pyridin-4-ylphenyl)-1,3-oxazole is Cc1oc(-c2ccc(-c3ccncc3)cc2)nc1CN1CCC(c2ccc(F)cc2)CC1.
What is the InChIKey of 4-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]-5-methyl-2-(4-pyridin-4-ylphenyl)-1,3-oxazole?
The InChIKey is XPIVORNVTBHREU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26FN3O/c1-19-26(18-31-16-12-23(13-17-31)21-6-8-25(28)9-7-21)30-27(32-19)24-4-2-20(3-5-24)22-10-14-29-15-11-22/h2-11,14-15,23H,12-13,16-18H2,1H3.
What are the key properties of 4-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]-5-methyl-2-(4-pyridin-4-ylphenyl)-1,3-oxazole?
4-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]-5-methyl-2-(4-pyridin-4-ylphenyl)-1,3-oxazole has a molecular weight of 427.52 g/mol, XLogP of 6.23, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]-5-methyl-2-(4-pyridin-4-ylphenyl)-1,3-oxazole is sourced from PubChem (CID 172549682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).