2-chloro-6-fluoro-N-[2-(1,3-oxazol-5-yl)-2-(4-phenylmethoxypiperidin-1-yl)ethyl]benzamide

C24H25ClFN3O3 — CID 118289533

IUPAC2-chloro-6-fluoro-N-[2-(1,3-oxazol-5-yl)-2-(4-phenylmethoxypiperidin-1-yl)ethyl]benzamide
SMILESO=C(NCC(c1cnco1)N1CCC(OCc2ccccc2)CC1)c1c(F)cccc1Cl
InChIInChI=1S/C24H25ClFN3O3/c25-19-7-4-8-20(26)23(19)24(30)28-13-21(22-14-27-16-32-22)29-11-9-18(10-12-29)31-15-17-5-2-1-3-6-17/h1-8,14,16,18,21H,9-13,15H2,(H,28,30)
InChIKeyQHQMYLVUMXEUDT-UHFFFAOYSA-N
MW457.93 g/mol
LogP4.62
Rot. Bonds8

About 2-chloro-6-fluoro-N-[2-(1,3-oxazol-5-yl)-2-(4-phenylmethoxypiperidin-1-yl)ethyl]benzamide

2-chloro-6-fluoro-N-[2-(1,3-oxazol-5-yl)-2-(4-phenylmethoxypiperidin-1-yl)ethyl]benzamide (PubChem CID 118289533) has the molecular formula C24H25ClFN3O3 and a molecular weight of 457.93 g/mol. Its IUPAC name is 2-chloro-6-fluoro-N-[2-(1,3-oxazol-5-yl)-2-(4-phenylmethoxypiperidin-1-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-chloro-6-fluoro-N-[2-(1,3-oxazol-5-yl)-2-(4-phenylmethoxypiperidin-1-yl)ethyl]benzamide
PubChem CID118289533
Molecular FormulaC24H25ClFN3O3
Molecular Weight457.93 g/mol
Exact Mass457.16
IUPAC Name2-chloro-6-fluoro-N-[2-(1,3-oxazol-5-yl)-2-(4-phenylmethoxypiperidin-1-yl)ethyl]benzamide
SMILESO=C(NCC(c1cnco1)N1CCC(OCc2ccccc2)CC1)c1c(F)cccc1Cl
InChIInChI=1S/C24H25ClFN3O3/c25-19-7-4-8-20(26)23(19)24(30)28-13-21(22-14-27-16-32-22)29-11-9-18(10-12-29)31-15-17-5-2-1-3-6-17/h1-8,14,16,18,21H,9-13,15H2,(H,28,30)
InChIKeyQHQMYLVUMXEUDT-UHFFFAOYSA-N
XLogP4.62
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.93
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(1S,2R,4R)-4-benzoyl-2-methyl-piperazin-1-yl]-2-(3-chloro-4-oxazol-5-yl-phenyl)ethane-1,2-dione
CID 24995076
2-chloro-6-fluoro-N-[2-(1,3-oxazol-5-yl)-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl]benzamide
CID 118289452
2-chloro-6-fluoro-N-[2-(morpholin-4-yl)-2-(1,3-oxazol-5-yl)ethyl]benzamide
CID 118289481
2-chloro-N-[2-(4,4-difluoropiperidin-1-yl)-2-(1,3-oxazol-5-yl)ethyl]-6-fluorobenzamide
CID 118289541
N-[2-(2-chlorophenyl)ethyl]-5-phenyl-1,3-oxazole-2-carboxamide
CID 155530539
N-(1-benzylpiperidin-4-yl)-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 24605354
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[1-(2-methylphenyl)ethyl]propanamide
CID 45863501
2-[4-[[2-(2-Chlorophenyl)-1,3-oxazol-5-yl]methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol
CID 70789642
N-(4-chlorophenethyl)-5-(4-fluorophenyl)oxazole-2-carboxamide
CID 76145345
5-(4-chlorophenyl)-N-(2,6-difluorobenzyl)oxazole-2-carboxamide
CID 76145365
5-(4-Chlorophenyl)-2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-1,3-oxazole
CID 8464988
2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl-methylamino]-N-(3-fluorophenyl)acetamide
CID 8846346

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-fluoro-N-[2-(1,3-oxazol-5-yl)-2-(4-phenylmethoxypiperidin-1-yl)ethyl]benzamide?
The IUPAC name of 2-chloro-6-fluoro-N-[2-(1,3-oxazol-5-yl)-2-(4-phenylmethoxypiperidin-1-yl)ethyl]benzamide (CID 118289533) is 2-chloro-6-fluoro-N-[2-(1,3-oxazol-5-yl)-2-(4-phenylmethoxypiperidin-1-yl)ethyl]benzamide.
What is the SMILES notation for 2-chloro-6-fluoro-N-[2-(1,3-oxazol-5-yl)-2-(4-phenylmethoxypiperidin-1-yl)ethyl]benzamide?
The canonical SMILES for 2-chloro-6-fluoro-N-[2-(1,3-oxazol-5-yl)-2-(4-phenylmethoxypiperidin-1-yl)ethyl]benzamide is O=C(NCC(c1cnco1)N1CCC(OCc2ccccc2)CC1)c1c(F)cccc1Cl.
What is the InChIKey of 2-chloro-6-fluoro-N-[2-(1,3-oxazol-5-yl)-2-(4-phenylmethoxypiperidin-1-yl)ethyl]benzamide?
The InChIKey is QHQMYLVUMXEUDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClFN3O3/c25-19-7-4-8-20(26)23(19)24(30)28-13-21(22-14-27-16-32-22)29-11-9-18(10-12-29)31-15-17-5-2-1-3-6-17/h1-8,14,16,18,21H,9-13,15H2,(H,28,30).
What are the key properties of 2-chloro-6-fluoro-N-[2-(1,3-oxazol-5-yl)-2-(4-phenylmethoxypiperidin-1-yl)ethyl]benzamide?
2-chloro-6-fluoro-N-[2-(1,3-oxazol-5-yl)-2-(4-phenylmethoxypiperidin-1-yl)ethyl]benzamide has a molecular weight of 457.93 g/mol, XLogP of 4.62, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-fluoro-N-[2-(1,3-oxazol-5-yl)-2-(4-phenylmethoxypiperidin-1-yl)ethyl]benzamide is sourced from PubChem (CID 118289533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).