(3-phenyl-1,2-oxazol-5-yl)methyl 1-(4-fluorobenzoyl)piperidine-4-carboxylate

C23H21FN2O4 — CID 25476456

IUPAC(3-phenyl-1,2-oxazol-5-yl)methyl 1-(4-fluorobenzoyl)piperidine-4-carboxylate
SMILESO=C(OCc1cc(-c2ccccc2)no1)C1CCN(C(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C23H21FN2O4/c24-19-8-6-17(7-9-19)22(27)26-12-10-18(11-13-26)23(28)29-15-20-14-21(25-30-20)16-4-2-1-3-5-16/h1-9,14,18H,10-13,15H2
InChIKeyUKWADULFOLLCLH-UHFFFAOYSA-N
MW408.43 g/mol
LogP4.08
Rot. Bonds5

About (3-phenyl-1,2-oxazol-5-yl)methyl 1-(4-fluorobenzoyl)piperidine-4-carboxylate

(3-phenyl-1,2-oxazol-5-yl)methyl 1-(4-fluorobenzoyl)piperidine-4-carboxylate (PubChem CID 25476456) has the molecular formula C23H21FN2O4 and a molecular weight of 408.43 g/mol. Its IUPAC name is (3-phenyl-1,2-oxazol-5-yl)methyl 1-(4-fluorobenzoyl)piperidine-4-carboxylate.

Molecular Properties

Compound Name(3-phenyl-1,2-oxazol-5-yl)methyl 1-(4-fluorobenzoyl)piperidine-4-carboxylate
PubChem CID25476456
Molecular FormulaC23H21FN2O4
Molecular Weight408.43 g/mol
Exact Mass408.15
IUPAC Name(3-phenyl-1,2-oxazol-5-yl)methyl 1-(4-fluorobenzoyl)piperidine-4-carboxylate
SMILESO=C(OCc1cc(-c2ccccc2)no1)C1CCN(C(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C23H21FN2O4/c24-19-8-6-17(7-9-19)22(27)26-12-10-18(11-13-26)23(28)29-15-20-14-21(25-30-20)16-4-2-1-3-5-16/h1-9,14,18H,10-13,15H2
InChIKeyUKWADULFOLLCLH-UHFFFAOYSA-N
XLogP4.08
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.43
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(5-phenyl-1,2-oxazol-3-yl)methyl 1-(4-fluorobenzoyl)piperidine-3-carboxylate
CID 55459448
ethyl 1-[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]benzoyl]piperidine-4-carboxylate
CID 50828615
1-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]piperidine-4-carboxylic acid
CID 119906674
naphthalen-2-yl 1-(4-fluorobenzoyl)piperidine-4-carboxylate
CID 43000155
[2-(cyclopropylamino)-2-oxoethyl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate
CID 7360135
butyl 1-(4-fluorobenzoyl)piperidine-4-carboxylate
CID 91711955
3-(4-fluorophenoxy)propyl 1-(4-fluorobenzoyl)piperidine-4-carboxylate
CID 55309408
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate
CID 7739988
(5-phenyl-1,3-oxazol-2-yl)methyl 1-(4-fluorobenzoyl)piperidine-3-carboxylate
CID 46660959
[(1S)-1-phenylethyl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate
CID 7739997
[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate
CID 7740013
ethyl 1-[4-ethoxy-2-(4-fluorophenyl)quinoline-6-carbonyl]piperidine-4-carboxylate
CID 46319079

Frequently Asked Questions

What is the IUPAC name of (3-phenyl-1,2-oxazol-5-yl)methyl 1-(4-fluorobenzoyl)piperidine-4-carboxylate?
The IUPAC name of (3-phenyl-1,2-oxazol-5-yl)methyl 1-(4-fluorobenzoyl)piperidine-4-carboxylate (CID 25476456) is (3-phenyl-1,2-oxazol-5-yl)methyl 1-(4-fluorobenzoyl)piperidine-4-carboxylate.
What is the SMILES notation for (3-phenyl-1,2-oxazol-5-yl)methyl 1-(4-fluorobenzoyl)piperidine-4-carboxylate?
The canonical SMILES for (3-phenyl-1,2-oxazol-5-yl)methyl 1-(4-fluorobenzoyl)piperidine-4-carboxylate is O=C(OCc1cc(-c2ccccc2)no1)C1CCN(C(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of (3-phenyl-1,2-oxazol-5-yl)methyl 1-(4-fluorobenzoyl)piperidine-4-carboxylate?
The InChIKey is UKWADULFOLLCLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN2O4/c24-19-8-6-17(7-9-19)22(27)26-12-10-18(11-13-26)23(28)29-15-20-14-21(25-30-20)16-4-2-1-3-5-16/h1-9,14,18H,10-13,15H2.
What are the key properties of (3-phenyl-1,2-oxazol-5-yl)methyl 1-(4-fluorobenzoyl)piperidine-4-carboxylate?
(3-phenyl-1,2-oxazol-5-yl)methyl 1-(4-fluorobenzoyl)piperidine-4-carboxylate has a molecular weight of 408.43 g/mol, XLogP of 4.08, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-phenyl-1,2-oxazol-5-yl)methyl 1-(4-fluorobenzoyl)piperidine-4-carboxylate is sourced from PubChem (CID 25476456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).