2-[[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-1-morpholin-4-ylethanone;hydrochloride

C14H24ClN5O3S — CID 120961278

IUPAC2-[[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-1-morpholin-4-ylethanone;hydrochloride
SMILESCN1CCNCC1c1noc(CSCC(=O)N2CCOCC2)n1.Cl
InChIInChI=1S/C14H23N5O3S.ClH/c1-18-3-2-15-8-11(18)14-16-12(22-17-14)9-23-10-13(20)19-4-6-21-7-5-19;/h11,15H,2-10H2,1H3;1H
InChIKeyOEWAPFVPKRGBIT-UHFFFAOYSA-N
MW377.90 g/mol
LogP0.16
Rot. Bonds5

About 2-[[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-1-morpholin-4-ylethanone;hydrochloride

2-[[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-1-morpholin-4-ylethanone;hydrochloride (PubChem CID 120961278) has the molecular formula C14H24ClN5O3S and a molecular weight of 377.90 g/mol. Its IUPAC name is 2-[[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-1-morpholin-4-ylethanone;hydrochloride.

Molecular Properties

Compound Name2-[[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-1-morpholin-4-ylethanone;hydrochloride
PubChem CID120961278
Molecular FormulaC14H24ClN5O3S
Molecular Weight377.90 g/mol
Exact Mass377.13
IUPAC Name2-[[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-1-morpholin-4-ylethanone;hydrochloride
SMILESCN1CCNCC1c1noc(CSCC(=O)N2CCOCC2)n1.Cl
InChIInChI=1S/C14H23N5O3S.ClH/c1-18-3-2-15-8-11(18)14-16-12(22-17-14)9-23-10-13(20)19-4-6-21-7-5-19;/h11,15H,2-10H2,1H3;1H
InChIKeyOEWAPFVPKRGBIT-UHFFFAOYSA-N
XLogP0.16
TPSA83.73 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.90
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-1-morpholin-4-ylethanone;hydrochloride with MolForge

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Related Compounds

5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanylmethyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120959080
5-(2-ethoxyethyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120960102
2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1-(4-methylpiperidin-1-yl)ethanone
CID 71864581
4-fluoro-N-[2-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide;hydrochloride
CID 120956345
N-[[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]methyl]benzamide;hydrochloride
CID 120956861
1-[2-fluoro-4-[[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]phenyl]ethanone
CID 120958485
5-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120956845
1-(2,5-dimethylthiophen-3-yl)-3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-one;hydrochloride
CID 120957465
4-tert-butyl-N-[2-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide;hydrochloride
CID 120959598
4-[2-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]ethoxy]benzamide;hydrochloride
CID 120961454
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-one
CID 120960893
1-(2,5-dimethylphenyl)-3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-one;hydrochloride
CID 120961286

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-1-morpholin-4-ylethanone;hydrochloride?
The IUPAC name of 2-[[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-1-morpholin-4-ylethanone;hydrochloride (CID 120961278) is 2-[[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-1-morpholin-4-ylethanone;hydrochloride.
What is the SMILES notation for 2-[[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-1-morpholin-4-ylethanone;hydrochloride?
The canonical SMILES for 2-[[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-1-morpholin-4-ylethanone;hydrochloride is CN1CCNCC1c1noc(CSCC(=O)N2CCOCC2)n1.Cl.
What is the InChIKey of 2-[[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-1-morpholin-4-ylethanone;hydrochloride?
The InChIKey is OEWAPFVPKRGBIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O3S.ClH/c1-18-3-2-15-8-11(18)14-16-12(22-17-14)9-23-10-13(20)19-4-6-21-7-5-19;/h11,15H,2-10H2,1H3;1H.
What are the key properties of 2-[[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-1-morpholin-4-ylethanone;hydrochloride?
2-[[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-1-morpholin-4-ylethanone;hydrochloride has a molecular weight of 377.90 g/mol, XLogP of 0.16, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-1-morpholin-4-ylethanone;hydrochloride is sourced from PubChem (CID 120961278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).