[4-(3-chlorophenyl)piperazin-1-yl]-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]methanone

C23H24ClN3O3 — CID 25162048

IUPAC[4-(3-chlorophenyl)piperazin-1-yl]-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]methanone
SMILESCc1noc(C)c1COc1ccccc1C(=O)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C23H24ClN3O3/c1-16-21(17(2)30-25-16)15-29-22-9-4-3-8-20(22)23(28)27-12-10-26(11-13-27)19-7-5-6-18(24)14-19/h3-9,14H,10-13,15H2,1-2H3
InChIKeyILRCRBGNCMXWPW-UHFFFAOYSA-N
MW425.92 g/mol
LogP4.49
Rot. Bonds5

About [4-(3-chlorophenyl)piperazin-1-yl]-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]methanone

[4-(3-chlorophenyl)piperazin-1-yl]-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]methanone (PubChem CID 25162048) has the molecular formula C23H24ClN3O3 and a molecular weight of 425.92 g/mol. Its IUPAC name is [4-(3-chlorophenyl)piperazin-1-yl]-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]methanone.

Molecular Properties

Compound Name[4-(3-chlorophenyl)piperazin-1-yl]-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]methanone
PubChem CID25162048
Molecular FormulaC23H24ClN3O3
Molecular Weight425.92 g/mol
Exact Mass425.15
IUPAC Name[4-(3-chlorophenyl)piperazin-1-yl]-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]methanone
SMILESCc1noc(C)c1COc1ccccc1C(=O)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C23H24ClN3O3/c1-16-21(17(2)30-25-16)15-29-22-9-4-3-8-20(22)23(28)27-12-10-26(11-13-27)19-7-5-6-18(24)14-19/h3-9,14H,10-13,15H2,1-2H3
InChIKeyILRCRBGNCMXWPW-UHFFFAOYSA-N
XLogP4.49
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.92
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-(3-chlorophenyl)piperazin-1-yl]-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]methanone with MolForge

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Related Compounds

N-(4-chlorophenyl)-3-(3-methoxyphenyl)-N,5-dimethyl-1,2-oxazole-4-carboxamide
CID 46232571
3-(2-Chlorophenyl)-5-methylisoxazol-4-yl 4-(2-methoxyphenyl)piperazinyl ketone
CID 660070
[3-(2-Chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone
CID 1011145
[2-[(3,5-Dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone
CID 25163087
1-{2-[(3,5-Dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl}-4-[3-(trifluoromethyl)phenyl]piperazine
CID 25163258
N-[(3-chlorophenyl)methyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 2096281
[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 2097552
1-[4-[4-[4-[(3,5-Dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]piperazin-1-yl]phenyl]ethanone
CID 2524389
N-(4-chlorobenzyl)-5-(2-methoxyphenyl)isoxazole-3-carboxamide
CID 3241352
[5-(3-Chlorophenyl)-3-isoxazolyl]-[4-(2-methoxyphenyl)-1-piperazinyl]methanone
CID 3242202
1-(4-Fluorophenyl)-4-{[5-(2-methoxyphenyl)isoxazol-3-yl]carbonyl}piperazine
CID 3245614
(5-(4-Chlorophenyl)isoxazol-3-yl)(4-(2-methoxyphenyl)piperazin-1-yl)methanone
CID 3245625

Frequently Asked Questions

What is the IUPAC name of [4-(3-chlorophenyl)piperazin-1-yl]-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]methanone?
The IUPAC name of [4-(3-chlorophenyl)piperazin-1-yl]-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]methanone (CID 25162048) is [4-(3-chlorophenyl)piperazin-1-yl]-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]methanone.
What is the SMILES notation for [4-(3-chlorophenyl)piperazin-1-yl]-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]methanone?
The canonical SMILES for [4-(3-chlorophenyl)piperazin-1-yl]-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]methanone is Cc1noc(C)c1COc1ccccc1C(=O)N1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of [4-(3-chlorophenyl)piperazin-1-yl]-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]methanone?
The InChIKey is ILRCRBGNCMXWPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN3O3/c1-16-21(17(2)30-25-16)15-29-22-9-4-3-8-20(22)23(28)27-12-10-26(11-13-27)19-7-5-6-18(24)14-19/h3-9,14H,10-13,15H2,1-2H3.
What are the key properties of [4-(3-chlorophenyl)piperazin-1-yl]-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]methanone?
[4-(3-chlorophenyl)piperazin-1-yl]-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]methanone has a molecular weight of 425.92 g/mol, XLogP of 4.49, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-chlorophenyl)piperazin-1-yl]-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]methanone is sourced from PubChem (CID 25162048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).