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

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

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Related Compounds

(4-chloropiperidin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone
CID 66155616
1-[4-(5-methyl-1,2-oxazole-3-carbonyl)-1,4-diazepan-1-yl]-2-phenylethanone
CID 110645725
(4-bromopiperidin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone
CID 80662471
N-[1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]-4-phenylbenzamide
CID 108559387
(3R)-N-benzyl-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidine-3-carboxamide
CID 97478212
(5-methyl-1,2-oxazol-3-yl)-[4-(quinolin-3-ylmethyl)piperidin-1-yl]methanone
CID 110090567
N-benzyl-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidine-3-carboxamide
CID 83286879
[(3S,4S)-3-benzyl-4-(cyclopropylmethoxy)piperidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 97422827
(4-aminopiperidin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone;hydrochloride
CID 72716281
N-[3-(2-fluorophenyl)phenyl]-1-[2-(5-oxo-3-propan-2-yl-1,2,4-oxadiazol-4-yl)acetyl]piperidine-4-carboxamide
CID 70644405
[1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-3-yl]-(4-phenylphenyl)methanone
CID 45209504
1-(5-methyl-1,2-oxazole-3-carbonyl)-N-propan-2-ylpiperidine-4-carboxamide
CID 91953940

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).