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

C23H21FN2O4 — CID 46660959

IUPAC(5-phenyl-1,3-oxazol-2-yl)methyl 1-(4-fluorobenzoyl)piperidine-3-carboxylate
SMILESO=C(OCc1ncc(-c2ccccc2)o1)C1CCCN(C(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C23H21FN2O4/c24-19-10-8-17(9-11-19)22(27)26-12-4-7-18(14-26)23(28)29-15-21-25-13-20(30-21)16-5-2-1-3-6-16/h1-3,5-6,8-11,13,18H,4,7,12,14-15H2
InChIKeyWNFVLXDSSRTVBL-UHFFFAOYSA-N
MW408.43 g/mol
LogP4.08
Rot. Bonds5

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

(5-phenyl-1,3-oxazol-2-yl)methyl 1-(4-fluorobenzoyl)piperidine-3-carboxylate (PubChem CID 46660959) has the molecular formula C23H21FN2O4 and a molecular weight of 408.43 g/mol. Its IUPAC name is (5-phenyl-1,3-oxazol-2-yl)methyl 1-(4-fluorobenzoyl)piperidine-3-carboxylate.

Molecular Properties

Compound Name(5-phenyl-1,3-oxazol-2-yl)methyl 1-(4-fluorobenzoyl)piperidine-3-carboxylate
PubChem CID46660959
Molecular FormulaC23H21FN2O4
Molecular Weight408.43 g/mol
Exact Mass408.15
IUPAC Name(5-phenyl-1,3-oxazol-2-yl)methyl 1-(4-fluorobenzoyl)piperidine-3-carboxylate
SMILESO=C(OCc1ncc(-c2ccccc2)o1)C1CCCN(C(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C23H21FN2O4/c24-19-10-8-17(9-11-19)22(27)26-12-4-7-18(14-26)23(28)29-15-21-25-13-20(30-21)16-5-2-1-3-6-16/h1-3,5-6,8-11,13,18H,4,7,12,14-15H2
InChIKeyWNFVLXDSSRTVBL-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5-phenyl-1,2-oxazol-3-yl)methyl 1-(4-fluorobenzoyl)piperidine-3-carboxylate
CID 55459448
(4-benzylmorpholin-2-yl)methyl 1-(4-fluorobenzoyl)piperidine-3-carboxylate
CID 78832355
[(3R)-1-(4-fluorobenzoyl)piperidin-3-yl]-piperidin-1-ylmethanone
CID 936701
1-(4-fluorobenzoyl)-N-(5-phenyl-2-pyridinyl)piperidine-3-carboxamide
CID 55952573
ethyl 1-[1-(4-fluorobenzoyl)piperidine-4-carbonyl]piperidine-3-carboxylate
CID 55345207
(3R)-1-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]piperidine-3-carboxylic acid
CID 125149368
(3S)-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 68704612
ethyl (3R)-1-(4-benzoylbenzoyl)piperidine-3-carboxylate
CID 30283825
(3-fluorophenyl)methyl (3R)-1-(4-chlorobenzoyl)piperidine-3-carboxylate
CID 40960869
(5-phenyl-1,3-oxazol-2-yl)methyl 4-piperidin-1-ylsulfonylbenzoate
CID 4559248
(4-benzylpiperazin-1-yl)-[(3R)-1-(4-fluorobenzoyl)piperidin-3-yl]methanone
CID 25297530
propyl 1-benzoylpiperidine-3-carboxylate
CID 57315331

Frequently Asked Questions

What is the IUPAC name of (5-phenyl-1,3-oxazol-2-yl)methyl 1-(4-fluorobenzoyl)piperidine-3-carboxylate?
The IUPAC name of (5-phenyl-1,3-oxazol-2-yl)methyl 1-(4-fluorobenzoyl)piperidine-3-carboxylate (CID 46660959) is (5-phenyl-1,3-oxazol-2-yl)methyl 1-(4-fluorobenzoyl)piperidine-3-carboxylate.
What is the SMILES notation for (5-phenyl-1,3-oxazol-2-yl)methyl 1-(4-fluorobenzoyl)piperidine-3-carboxylate?
The canonical SMILES for (5-phenyl-1,3-oxazol-2-yl)methyl 1-(4-fluorobenzoyl)piperidine-3-carboxylate is O=C(OCc1ncc(-c2ccccc2)o1)C1CCCN(C(=O)c2ccc(F)cc2)C1.
What is the InChIKey of (5-phenyl-1,3-oxazol-2-yl)methyl 1-(4-fluorobenzoyl)piperidine-3-carboxylate?
The InChIKey is WNFVLXDSSRTVBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN2O4/c24-19-10-8-17(9-11-19)22(27)26-12-4-7-18(14-26)23(28)29-15-21-25-13-20(30-21)16-5-2-1-3-6-16/h1-3,5-6,8-11,13,18H,4,7,12,14-15H2.
What are the key properties of (5-phenyl-1,3-oxazol-2-yl)methyl 1-(4-fluorobenzoyl)piperidine-3-carboxylate?
(5-phenyl-1,3-oxazol-2-yl)methyl 1-(4-fluorobenzoyl)piperidine-3-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 (5-phenyl-1,3-oxazol-2-yl)methyl 1-(4-fluorobenzoyl)piperidine-3-carboxylate is sourced from PubChem (CID 46660959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).