2-[4-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]piperazin-1-yl]-1-piperidin-1-ylethanone

C21H27ClN4O2 — CID 134018590

IUPAC2-[4-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]piperazin-1-yl]-1-piperidin-1-ylethanone
SMILESO=C(CN1CCN(Cc2cc(-c3ccc(Cl)cc3)no2)CC1)N1CCCCC1
InChIInChI=1S/C21H27ClN4O2/c22-18-6-4-17(5-7-18)20-14-19(28-23-20)15-24-10-12-25(13-11-24)16-21(27)26-8-2-1-3-9-26/h4-7,14H,1-3,8-13,15-16H2
InChIKeyFCXITKGZYJIIMI-UHFFFAOYSA-N
MW402.93 g/mol
LogP3.13
Rot. Bonds5

About 2-[4-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]piperazin-1-yl]-1-piperidin-1-ylethanone

2-[4-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]piperazin-1-yl]-1-piperidin-1-ylethanone (PubChem CID 134018590) has the molecular formula C21H27ClN4O2 and a molecular weight of 402.93 g/mol. Its IUPAC name is 2-[4-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]piperazin-1-yl]-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[4-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]piperazin-1-yl]-1-piperidin-1-ylethanone
PubChem CID134018590
Molecular FormulaC21H27ClN4O2
Molecular Weight402.93 g/mol
Exact Mass402.18
IUPAC Name2-[4-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]piperazin-1-yl]-1-piperidin-1-ylethanone
SMILESO=C(CN1CCN(Cc2cc(-c3ccc(Cl)cc3)no2)CC1)N1CCCCC1
InChIInChI=1S/C21H27ClN4O2/c22-18-6-4-17(5-7-18)20-14-19(28-23-20)15-24-10-12-25(13-11-24)16-21(27)26-8-2-1-3-9-26/h4-7,14H,1-3,8-13,15-16H2
InChIKeyFCXITKGZYJIIMI-UHFFFAOYSA-N
XLogP3.13
TPSA52.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.93
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[4-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]piperazin-1-yl]-1-piperidin-1-ylethanone with MolForge

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Related Compounds

[1-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 134018458
3-(4-chlorophenyl)-5-(piperazin-1-ylmethyl)-1,2-oxazole
CID 94700421
5-(azocan-1-ylmethyl)-3-(4-methylphenyl)-1,2-oxazole
CID 55648727
N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]acetamide
CID 9361796
2-[5-(4-chlorophenyl)tetrazol-2-yl]-1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]ethanone
CID 78835628
1-[4-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1,4-diazepan-1-yl]ethanone
CID 30760408
N-(4-chlorophenyl)-5-(pyrrolidin-1-ylmethyl)-1,2-oxazole-3-carboxamide
CID 20950962
1-(azepan-1-yl)-2-[4-[[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]ethanone
CID 55511207
2-[4-[5-(4-chlorophenyl)-1H-pyrazole-4-carbonyl]piperazin-1-yl]-1-piperidin-1-ylethanone
CID 24643673
1-(azepan-1-yl)-2-(4-benzylpiperazin-1-yl)ethanone chloride
CID 53350851
2-(4-fluorophenoxy)-1-[4-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]piperazin-1-yl]ethanone
CID 112826219
2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,4-diazepan-1-yl]-1-pyrrolidin-1-ylethanone
CID 71942307

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]piperazin-1-yl]-1-piperidin-1-ylethanone?
The IUPAC name of 2-[4-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]piperazin-1-yl]-1-piperidin-1-ylethanone (CID 134018590) is 2-[4-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]piperazin-1-yl]-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[4-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]piperazin-1-yl]-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[4-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]piperazin-1-yl]-1-piperidin-1-ylethanone is O=C(CN1CCN(Cc2cc(-c3ccc(Cl)cc3)no2)CC1)N1CCCCC1.
What is the InChIKey of 2-[4-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]piperazin-1-yl]-1-piperidin-1-ylethanone?
The InChIKey is FCXITKGZYJIIMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27ClN4O2/c22-18-6-4-17(5-7-18)20-14-19(28-23-20)15-24-10-12-25(13-11-24)16-21(27)26-8-2-1-3-9-26/h4-7,14H,1-3,8-13,15-16H2.
What are the key properties of 2-[4-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]piperazin-1-yl]-1-piperidin-1-ylethanone?
2-[4-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]piperazin-1-yl]-1-piperidin-1-ylethanone has a molecular weight of 402.93 g/mol, XLogP of 3.13, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]piperazin-1-yl]-1-piperidin-1-ylethanone is sourced from PubChem (CID 134018590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).