5-[(4-fluorophenyl)methyl]-2-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-2-yl]-1,3-oxazole

C19H21FN4O3S — CID 110121353

IUPAC5-[(4-fluorophenyl)methyl]-2-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-2-yl]-1,3-oxazole
SMILESCn1cnc(S(=O)(=O)N2CCCCC2c2ncc(Cc3ccc(F)cc3)o2)c1
InChIInChI=1S/C19H21FN4O3S/c1-23-12-18(22-13-23)28(25,26)24-9-3-2-4-17(24)19-21-11-16(27-19)10-14-5-7-15(20)8-6-14/h5-8,11-13,17H,2-4,9-10H2,1H3
InChIKeyFVCOYNHKUCLEDZ-UHFFFAOYSA-N
MW404.47 g/mol
LogP3.05
Rot. Bonds5

About 5-[(4-fluorophenyl)methyl]-2-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-2-yl]-1,3-oxazole

5-[(4-fluorophenyl)methyl]-2-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-2-yl]-1,3-oxazole (PubChem CID 110121353) has the molecular formula C19H21FN4O3S and a molecular weight of 404.47 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)methyl]-2-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-2-yl]-1,3-oxazole.

Molecular Properties

Compound Name5-[(4-fluorophenyl)methyl]-2-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-2-yl]-1,3-oxazole
PubChem CID110121353
Molecular FormulaC19H21FN4O3S
Molecular Weight404.47 g/mol
Exact Mass404.13
IUPAC Name5-[(4-fluorophenyl)methyl]-2-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-2-yl]-1,3-oxazole
SMILESCn1cnc(S(=O)(=O)N2CCCCC2c2ncc(Cc3ccc(F)cc3)o2)c1
InChIInChI=1S/C19H21FN4O3S/c1-23-12-18(22-13-23)28(25,26)24-9-3-2-4-17(24)19-21-11-16(27-19)10-14-5-7-15(20)8-6-14/h5-8,11-13,17H,2-4,9-10H2,1H3
InChIKeyFVCOYNHKUCLEDZ-UHFFFAOYSA-N
XLogP3.05
TPSA81.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(2-chlorophenyl)methyl]-2-[(2R)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-2-yl]-1,3-oxazole
CID 125012750
5-[(4-fluorophenyl)methyl]-2-[(2S)-1-pyridin-3-ylsulfonylpyrrolidin-2-yl]-1,3-oxazole
CID 124968551
4-[(4-fluorophenyl)methyl]-2-methyl-6-[(2R)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]pyridine
CID 92617111
5-(4-fluorophenyl)-4-[(2R)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-2-yl]pyrimidin-2-amine
CID 95837184
[(2R)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-pyrimidin-2-ylmethanone
CID 124957841
5-[(3-chlorophenyl)methyl]-2-[(2R)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-2-yl]-1,3-oxazole
CID 124995262
5-[(3-chlorophenyl)methyl]-2-[(3R)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]-1,3-oxazole
CID 124952542
1-[(2R)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-(4-methoxyphenoxy)ethanone
CID 124961639
[2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]methanone
CID 110120843
2-[(3-fluorophenyl)methyl]-6-[(2S)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]pyridine
CID 95818487
(2S)-1-(1-methylimidazol-4-yl)sulfonyl-2-(4-methyl-1,2,4-triazol-3-yl)piperidine
CID 95824716
2-(azepan-1-yl)-1-[(2R)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]ethanone
CID 125023843

Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenyl)methyl]-2-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-2-yl]-1,3-oxazole?
The IUPAC name of 5-[(4-fluorophenyl)methyl]-2-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-2-yl]-1,3-oxazole (CID 110121353) is 5-[(4-fluorophenyl)methyl]-2-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-2-yl]-1,3-oxazole.
What is the SMILES notation for 5-[(4-fluorophenyl)methyl]-2-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-2-yl]-1,3-oxazole?
The canonical SMILES for 5-[(4-fluorophenyl)methyl]-2-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-2-yl]-1,3-oxazole is Cn1cnc(S(=O)(=O)N2CCCCC2c2ncc(Cc3ccc(F)cc3)o2)c1.
What is the InChIKey of 5-[(4-fluorophenyl)methyl]-2-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-2-yl]-1,3-oxazole?
The InChIKey is FVCOYNHKUCLEDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4O3S/c1-23-12-18(22-13-23)28(25,26)24-9-3-2-4-17(24)19-21-11-16(27-19)10-14-5-7-15(20)8-6-14/h5-8,11-13,17H,2-4,9-10H2,1H3.
What are the key properties of 5-[(4-fluorophenyl)methyl]-2-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-2-yl]-1,3-oxazole?
5-[(4-fluorophenyl)methyl]-2-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-2-yl]-1,3-oxazole has a molecular weight of 404.47 g/mol, XLogP of 3.05, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenyl)methyl]-2-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-2-yl]-1,3-oxazole is sourced from PubChem (CID 110121353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).