2-[3-(2-fluorophenyl)phenyl]-1-[1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]ethanone

C24H23FN2O3 — CID 58578359

IUPAC2-[3-(2-fluorophenyl)phenyl]-1-[1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]ethanone
SMILESCc1cc(C(=O)N2CCC(C(=O)Cc3cccc(-c4ccccc4F)c3)CC2)no1
InChIInChI=1S/C24H23FN2O3/c1-16-13-22(26-30-16)24(29)27-11-9-18(10-12-27)23(28)15-17-5-4-6-19(14-17)20-7-2-3-8-21(20)25/h2-8,13-14,18H,9-12,15H2,1H3
InChIKeyVLWZMRZKBZLKMB-UHFFFAOYSA-N
MW406.46 g/mol
LogP4.45
Rot. Bonds5

About 2-[3-(2-fluorophenyl)phenyl]-1-[1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]ethanone

2-[3-(2-fluorophenyl)phenyl]-1-[1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]ethanone (PubChem CID 58578359) has the molecular formula C24H23FN2O3 and a molecular weight of 406.46 g/mol. Its IUPAC name is 2-[3-(2-fluorophenyl)phenyl]-1-[1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]ethanone.

Molecular Properties

Compound Name2-[3-(2-fluorophenyl)phenyl]-1-[1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]ethanone
PubChem CID58578359
Molecular FormulaC24H23FN2O3
Molecular Weight406.46 g/mol
Exact Mass406.17
IUPAC Name2-[3-(2-fluorophenyl)phenyl]-1-[1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]ethanone
SMILESCc1cc(C(=O)N2CCC(C(=O)Cc3cccc(-c4ccccc4F)c3)CC2)no1
InChIInChI=1S/C24H23FN2O3/c1-16-13-22(26-30-16)24(29)27-11-9-18(10-12-27)23(28)15-17-5-4-6-19(14-17)20-7-2-3-8-21(20)25/h2-8,13-14,18H,9-12,15H2,1H3
InChIKeyVLWZMRZKBZLKMB-UHFFFAOYSA-N
XLogP4.45
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.46
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-fluorophenyl)phenyl]-1-[1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]ethanone?
The IUPAC name of 2-[3-(2-fluorophenyl)phenyl]-1-[1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]ethanone (CID 58578359) is 2-[3-(2-fluorophenyl)phenyl]-1-[1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]ethanone.
What is the SMILES notation for 2-[3-(2-fluorophenyl)phenyl]-1-[1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]ethanone?
The canonical SMILES for 2-[3-(2-fluorophenyl)phenyl]-1-[1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]ethanone is Cc1cc(C(=O)N2CCC(C(=O)Cc3cccc(-c4ccccc4F)c3)CC2)no1.
What is the InChIKey of 2-[3-(2-fluorophenyl)phenyl]-1-[1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]ethanone?
The InChIKey is VLWZMRZKBZLKMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN2O3/c1-16-13-22(26-30-16)24(29)27-11-9-18(10-12-27)23(28)15-17-5-4-6-19(14-17)20-7-2-3-8-21(20)25/h2-8,13-14,18H,9-12,15H2,1H3.
What are the key properties of 2-[3-(2-fluorophenyl)phenyl]-1-[1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]ethanone?
2-[3-(2-fluorophenyl)phenyl]-1-[1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]ethanone has a molecular weight of 406.46 g/mol, XLogP of 4.45, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-fluorophenyl)phenyl]-1-[1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]ethanone is sourced from PubChem (CID 58578359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).