[3-(dimethylamino)phenyl]-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]methanone

C21H23N5O2 — CID 22581254

IUPAC[3-(dimethylamino)phenyl]-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]methanone
SMILESCN(C)c1cccc(C(=O)N2CCN(c3nc(-c4ccccc4)no3)CC2)c1
InChIInChI=1S/C21H23N5O2/c1-24(2)18-10-6-9-17(15-18)20(27)25-11-13-26(14-12-25)21-22-19(23-28-21)16-7-4-3-5-8-16/h3-10,15H,11-14H2,1-2H3
InChIKeyYXXWAMINRJSYLR-UHFFFAOYSA-N
MW377.45 g/mol
LogP2.77
Rot. Bonds4

About [3-(dimethylamino)phenyl]-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]methanone

[3-(dimethylamino)phenyl]-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]methanone (PubChem CID 22581254) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is [3-(dimethylamino)phenyl]-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[3-(dimethylamino)phenyl]-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]methanone
PubChem CID22581254
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC Name[3-(dimethylamino)phenyl]-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]methanone
SMILESCN(C)c1cccc(C(=O)N2CCN(c3nc(-c4ccccc4)no3)CC2)c1
InChIInChI=1S/C21H23N5O2/c1-24(2)18-10-6-9-17(15-18)20(27)25-11-13-26(14-12-25)21-22-19(23-28-21)16-7-4-3-5-8-16/h3-10,15H,11-14H2,1-2H3
InChIKeyYXXWAMINRJSYLR-UHFFFAOYSA-N
XLogP2.77
TPSA65.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[3-(dimethylamino)phenyl]-(4-phenylpiperazin-1-yl)methanone
CID 2598413
azepan-1-yl-[3-(dimethylamino)phenyl]methanone
CID 23857554
[3-(dimethylamino)phenyl]-[(3S)-3-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]pyrrolidin-1-yl]methanone
CID 99757592
[3-(dimethylamino)phenyl]-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone
CID 30086319
[3-(dimethylamino)phenyl]-[4-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122339501
[4-(1,2-benzoxazol-3-ylmethyl)piperazin-1-yl]-[3-(dimethylamino)phenyl]methanone
CID 20972211
[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-(4-phenylpiperazin-1-yl)methanone
CID 50828707
[4-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-[3-(dimethylamino)phenyl]methanone
CID 50925907
[3-(dimethylamino)phenyl]-(1-methyl-3-phenyl-4,5,7,8-tetrahydropyrazolo[4,5-d]azepin-6-yl)methanone
CID 146042703
1-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-propanoyl-1,4-diazepane-6-carboxylic acid
CID 86287304
oxolan-3-yl-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)-1,4-diazepan-1-yl]methanone
CID 138384199
[4-(2,6-dimethoxybenzoyl)piperazin-1-yl]-[3-(dimethylamino)phenyl]methanone
CID 110365155

Frequently Asked Questions

What is the IUPAC name of [3-(dimethylamino)phenyl]-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]methanone?
The IUPAC name of [3-(dimethylamino)phenyl]-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]methanone (CID 22581254) is [3-(dimethylamino)phenyl]-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]methanone.
What is the SMILES notation for [3-(dimethylamino)phenyl]-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]methanone?
The canonical SMILES for [3-(dimethylamino)phenyl]-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]methanone is CN(C)c1cccc(C(=O)N2CCN(c3nc(-c4ccccc4)no3)CC2)c1.
What is the InChIKey of [3-(dimethylamino)phenyl]-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]methanone?
The InChIKey is YXXWAMINRJSYLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2/c1-24(2)18-10-6-9-17(15-18)20(27)25-11-13-26(14-12-25)21-22-19(23-28-21)16-7-4-3-5-8-16/h3-10,15H,11-14H2,1-2H3.
What are the key properties of [3-(dimethylamino)phenyl]-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]methanone?
[3-(dimethylamino)phenyl]-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]methanone has a molecular weight of 377.45 g/mol, XLogP of 2.77, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(dimethylamino)phenyl]-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 22581254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).