(2R)-2-(3-chlorophenoxy)-1-[4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]propan-1-one

C22H23ClN4O3 — CID 93071972

IUPAC(2R)-2-(3-chlorophenoxy)-1-[4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]propan-1-one
SMILESCc1nc(-c2ccc(N3CCN(C(=O)[C@@H](C)Oc4cccc(Cl)c4)CC3)cc2)no1
InChIInChI=1S/C22H23ClN4O3/c1-15(29-20-5-3-4-18(23)14-20)22(28)27-12-10-26(11-13-27)19-8-6-17(7-9-19)21-24-16(2)30-25-21/h3-9,14-15H,10-13H2,1-2H3/t15-/m1/s1
InChIKeyOWQKAZCJHZMNCG-OAHLLOKOSA-N
MW426.90 g/mol
LogP3.81
Rot. Bonds5

About (2R)-2-(3-chlorophenoxy)-1-[4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]propan-1-one

(2R)-2-(3-chlorophenoxy)-1-[4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]propan-1-one (PubChem CID 93071972) has the molecular formula C22H23ClN4O3 and a molecular weight of 426.90 g/mol. Its IUPAC name is (2R)-2-(3-chlorophenoxy)-1-[4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name(2R)-2-(3-chlorophenoxy)-1-[4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]propan-1-one
PubChem CID93071972
Molecular FormulaC22H23ClN4O3
Molecular Weight426.90 g/mol
Exact Mass426.15
IUPAC Name(2R)-2-(3-chlorophenoxy)-1-[4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]propan-1-one
SMILESCc1nc(-c2ccc(N3CCN(C(=O)[C@@H](C)Oc4cccc(Cl)c4)CC3)cc2)no1
InChIInChI=1S/C22H23ClN4O3/c1-15(29-20-5-3-4-18(23)14-20)22(28)27-12-10-26(11-13-27)19-8-6-17(7-9-19)21-24-16(2)30-25-21/h3-9,14-15H,10-13H2,1-2H3/t15-/m1/s1
InChIKeyOWQKAZCJHZMNCG-OAHLLOKOSA-N
XLogP3.81
TPSA71.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.90
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-chlorophenoxy)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 2931302
(2S)-2-(3-chlorophenoxy)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 1290925
N-[1-[4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]-1-oxopropan-2-yl]benzamide
CID 53041884
N-[4-[5-[1-[(2R)-2-(3-chlorophenoxy)propanoyl]piperidin-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 93072631
2-(4-chloro-3-methylphenoxy)-1-[4-(3-chlorophenyl)piperazin-1-yl]propan-1-one
CID 17308649
(2S)-2-(3-chlorophenoxy)-1-morpholin-4-ylpropan-1-one
CID 898248
2-(4-chlorophenoxy)-1-[4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]ethanone
CID 52998844
2-(3-methoxyphenyl)-1-[4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]ethanone
CID 53041871
2-(4-chloro-2-methylphenoxy)-1-[4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]ethanone
CID 52998847
2-(3-chlorophenoxy)-1-[4-(2-hydroxyphenyl)piperazin-1-yl]propan-1-one
CID 43001973
(2R)-1-(azepan-1-yl)-2-(3-chlorophenoxy)propan-1-one
CID 897812
1-[4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-2-(4-methylphenoxy)propan-1-one
CID 46412874

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-chlorophenoxy)-1-[4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]propan-1-one?
The IUPAC name of (2R)-2-(3-chlorophenoxy)-1-[4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]propan-1-one (CID 93071972) is (2R)-2-(3-chlorophenoxy)-1-[4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]propan-1-one.
What is the SMILES notation for (2R)-2-(3-chlorophenoxy)-1-[4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]propan-1-one?
The canonical SMILES for (2R)-2-(3-chlorophenoxy)-1-[4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]propan-1-one is Cc1nc(-c2ccc(N3CCN(C(=O)[C@@H](C)Oc4cccc(Cl)c4)CC3)cc2)no1.
What is the InChIKey of (2R)-2-(3-chlorophenoxy)-1-[4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]propan-1-one?
The InChIKey is OWQKAZCJHZMNCG-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H23ClN4O3/c1-15(29-20-5-3-4-18(23)14-20)22(28)27-12-10-26(11-13-27)19-8-6-17(7-9-19)21-24-16(2)30-25-21/h3-9,14-15H,10-13H2,1-2H3/t15-/m1/s1.
What are the key properties of (2R)-2-(3-chlorophenoxy)-1-[4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]propan-1-one?
(2R)-2-(3-chlorophenoxy)-1-[4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]propan-1-one has a molecular weight of 426.90 g/mol, XLogP of 3.81, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-chlorophenoxy)-1-[4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]propan-1-one is sourced from PubChem (CID 93071972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).