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

C23H26N4O3S — CID 30776307

IUPAC[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]phenyl]-[4-(2-phenoxyethyl)piperazin-1-yl]methanone
SMILESCc1nc(CSc2ccccc2C(=O)N2CCN(CCOc3ccccc3)CC2)no1
InChIInChI=1S/C23H26N4O3S/c1-18-24-22(25-30-18)17-31-21-10-6-5-9-20(21)23(28)27-13-11-26(12-14-27)15-16-29-19-7-3-2-4-8-19/h2-10H,11-17H2,1H3
InChIKeyIOZKPXHYJHUBLD-UHFFFAOYSA-N
MW438.55 g/mol
LogP3.51
Rot. Bonds8

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

[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]phenyl]-[4-(2-phenoxyethyl)piperazin-1-yl]methanone (PubChem CID 30776307) has the molecular formula C23H26N4O3S and a molecular weight of 438.55 g/mol. Its IUPAC name is [2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]phenyl]-[4-(2-phenoxyethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]phenyl]-[4-(2-phenoxyethyl)piperazin-1-yl]methanone
PubChem CID30776307
Molecular FormulaC23H26N4O3S
Molecular Weight438.55 g/mol
Exact Mass438.17
IUPAC Name[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]phenyl]-[4-(2-phenoxyethyl)piperazin-1-yl]methanone
SMILESCc1nc(CSc2ccccc2C(=O)N2CCN(CCOc3ccccc3)CC2)no1
InChIInChI=1S/C23H26N4O3S/c1-18-24-22(25-30-18)17-31-21-10-6-5-9-20(21)23(28)27-13-11-26(12-14-27)15-16-29-19-7-3-2-4-8-19/h2-10H,11-17H2,1H3
InChIKeyIOZKPXHYJHUBLD-UHFFFAOYSA-N
XLogP3.51
TPSA71.70 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.55
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]phenyl]-[4-(2-phenoxyethyl)piperazin-1-yl]methanone with MolForge

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Related Compounds

1-[4-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]benzoyl]piperazin-1-yl]ethanone
CID 36708662
[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]phenyl]-(4-phenylpiperidin-1-yl)methanone
CID 46449097
(2-aminophenyl)-[4-(2-phenoxyethyl)piperazin-1-yl]methanone
CID 119946208
2,3-dihydroindol-1-yl-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]phenyl]methanone
CID 55531006
N-methyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 55543102
(2-methoxyphenyl)-[4-(2-phenoxyethyl)piperazin-1-yl]methanone
CID 86977364
N'-(4-ethoxybenzoyl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]benzohydrazide
CID 36897572
(2-hydroxyphenyl)-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]methanone
CID 31281275
(4-ethylpiperazin-1-yl)-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]phenyl]methanone
CID 145422783
(2-chlorophenyl)-[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]methanone
CID 110638152
[(4aS,8aS)-1,1-dioxo-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]thiazin-4-yl]-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]phenyl]methanone
CID 97008863
[4-(2-phenoxyethyl)piperazin-1-yl]-quinolin-5-ylmethanone
CID 17455550

Frequently Asked Questions

What is the IUPAC name of [2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]phenyl]-[4-(2-phenoxyethyl)piperazin-1-yl]methanone?
The IUPAC name of [2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]phenyl]-[4-(2-phenoxyethyl)piperazin-1-yl]methanone (CID 30776307) is [2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]phenyl]-[4-(2-phenoxyethyl)piperazin-1-yl]methanone.
What is the SMILES notation for [2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]phenyl]-[4-(2-phenoxyethyl)piperazin-1-yl]methanone?
The canonical SMILES for [2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]phenyl]-[4-(2-phenoxyethyl)piperazin-1-yl]methanone is Cc1nc(CSc2ccccc2C(=O)N2CCN(CCOc3ccccc3)CC2)no1.
What is the InChIKey of [2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]phenyl]-[4-(2-phenoxyethyl)piperazin-1-yl]methanone?
The InChIKey is IOZKPXHYJHUBLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3S/c1-18-24-22(25-30-18)17-31-21-10-6-5-9-20(21)23(28)27-13-11-26(12-14-27)15-16-29-19-7-3-2-4-8-19/h2-10H,11-17H2,1H3.
What are the key properties of [2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]phenyl]-[4-(2-phenoxyethyl)piperazin-1-yl]methanone?
[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]phenyl]-[4-(2-phenoxyethyl)piperazin-1-yl]methanone has a molecular weight of 438.55 g/mol, XLogP of 3.51, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]phenyl]-[4-(2-phenoxyethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 30776307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).