4-[5-[5-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]morpholine

C24H30N6O2 — CID 53162761

IUPAC4-[5-[5-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]morpholine
SMILESCc1cccc(N2CCN(Cc3nc(-c4ccc(N5CCOCC5)nc4)no3)CC2)c1C
InChIInChI=1S/C24H30N6O2/c1-18-4-3-5-21(19(18)2)29-10-8-28(9-11-29)17-23-26-24(27-32-23)20-6-7-22(25-16-20)30-12-14-31-15-13-30/h3-7,16H,8-15,17H2,1-2H3
InChIKeyRZBGETUCVDHWHK-UHFFFAOYSA-N
MW434.54 g/mol
LogP2.91
Rot. Bonds5

About 4-[5-[5-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]morpholine

4-[5-[5-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]morpholine (PubChem CID 53162761) has the molecular formula C24H30N6O2 and a molecular weight of 434.54 g/mol. Its IUPAC name is 4-[5-[5-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]morpholine.

Molecular Properties

Compound Name4-[5-[5-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]morpholine
PubChem CID53162761
Molecular FormulaC24H30N6O2
Molecular Weight434.54 g/mol
Exact Mass434.24
IUPAC Name4-[5-[5-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]morpholine
SMILESCc1cccc(N2CCN(Cc3nc(-c4ccc(N5CCOCC5)nc4)no3)CC2)c1C
InChIInChI=1S/C24H30N6O2/c1-18-4-3-5-21(19(18)2)29-10-8-28(9-11-29)17-23-26-24(27-32-23)20-6-7-22(25-16-20)30-12-14-31-15-13-30/h3-7,16H,8-15,17H2,1-2H3
InChIKeyRZBGETUCVDHWHK-UHFFFAOYSA-N
XLogP2.91
TPSA70.76 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-[5-[5-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]morpholine with MolForge

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Related Compounds

4-[5-[5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]morpholine
CID 53162754
4-[5-[5-[(4-benzylpiperidin-1-yl)methyl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]morpholine
CID 53162753
5-[6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-pyridinyl]-3-(3-fluorophenyl)-1,2,4-oxadiazole
CID 53126761
3-[2-(difluoromethoxy)phenyl]-5-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 78807787
2-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]phenol
CID 27156351
[1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 38150583
3-(3-methylphenyl)-5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
CID 2997220
3-(3-chlorophenyl)-5-[[4-(2-methylphenyl)-1,4-diazepan-1-yl]methyl]-1,2,4-oxadiazole
CID 42530638
5-[(4-ethylpiperazin-1-yl)methyl]-3-[6-[(3R)-3-methylpiperidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole
CID 95100346
N,N-diethyl-6-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]pyridine-3-sulfonamide
CID 24607704
[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-morpholin-4-ylmethanone
CID 31695976
5-[[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl]-3-(3-chlorophenyl)-1,2,4-oxadiazole
CID 9028953

Frequently Asked Questions

What is the IUPAC name of 4-[5-[5-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]morpholine?
The IUPAC name of 4-[5-[5-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]morpholine (CID 53162761) is 4-[5-[5-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]morpholine.
What is the SMILES notation for 4-[5-[5-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]morpholine?
The canonical SMILES for 4-[5-[5-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]morpholine is Cc1cccc(N2CCN(Cc3nc(-c4ccc(N5CCOCC5)nc4)no3)CC2)c1C.
What is the InChIKey of 4-[5-[5-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]morpholine?
The InChIKey is RZBGETUCVDHWHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O2/c1-18-4-3-5-21(19(18)2)29-10-8-28(9-11-29)17-23-26-24(27-32-23)20-6-7-22(25-16-20)30-12-14-31-15-13-30/h3-7,16H,8-15,17H2,1-2H3.
What are the key properties of 4-[5-[5-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]morpholine?
4-[5-[5-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]morpholine has a molecular weight of 434.54 g/mol, XLogP of 2.91, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[5-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]morpholine is sourced from PubChem (CID 53162761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).