3-(2-chlorophenyl)-4-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-2-one

C16H19ClN4O3 — CID 126795033

IUPAC3-(2-chlorophenyl)-4-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-2-one
SMILESCOCCc1noc(CN2CCNC(=O)C2c2ccccc2Cl)n1
InChIInChI=1S/C16H19ClN4O3/c1-23-9-6-13-19-14(24-20-13)10-21-8-7-18-16(22)15(21)11-4-2-3-5-12(11)17/h2-5,15H,6-10H2,1H3,(H,18,22)
InChIKeySFWRWFKNVGTTLR-UHFFFAOYSA-N
MW350.81 g/mol
LogP1.59
Rot. Bonds6

About 3-(2-chlorophenyl)-4-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-2-one

3-(2-chlorophenyl)-4-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-2-one (PubChem CID 126795033) has the molecular formula C16H19ClN4O3 and a molecular weight of 350.81 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-4-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-2-one.

Molecular Properties

Compound Name3-(2-chlorophenyl)-4-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-2-one
PubChem CID126795033
Molecular FormulaC16H19ClN4O3
Molecular Weight350.81 g/mol
Exact Mass350.11
IUPAC Name3-(2-chlorophenyl)-4-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-2-one
SMILESCOCCc1noc(CN2CCNC(=O)C2c2ccccc2Cl)n1
InChIInChI=1S/C16H19ClN4O3/c1-23-9-6-13-19-14(24-20-13)10-21-8-7-18-16(22)15(21)11-4-2-3-5-12(11)17/h2-5,15H,6-10H2,1H3,(H,18,22)
InChIKeySFWRWFKNVGTTLR-UHFFFAOYSA-N
XLogP1.59
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.81
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(2-chlorophenyl)-4-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-2-one with MolForge

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Related Compounds

4-[(5-butyl-1,2,4-oxadiazol-3-yl)methyl]-3-(2-chlorophenyl)piperazin-2-one
CID 126788043
(3R)-3-(2-chlorophenyl)-4-[(1-methylimidazol-2-yl)methyl]piperazin-2-one
CID 124616795
4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3-(2-methylphenyl)piperazin-2-one
CID 75506316
2-[5-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-1,2,4-oxadiazol-3-yl]-N-methylacetamide
CID 120757428
3-(2-methoxyethyl)-5-[[(2S)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 124758455
4-(3-methoxypropyl)-3-(2-methylphenyl)piperazin-2-one
CID 86791204
5-[[(2R)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-3-(2-methoxyethyl)-1,2,4-oxadiazole
CID 124753344
(3S)-8-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 97200009
3-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-phenyl-1,3-oxazolidin-2-one
CID 156607205
1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-7-phenyl-1,4-diazepan-5-one
CID 56819980
4-butanoyl-3-(2-chlorophenyl)piperazin-2-one
CID 110657325
5-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-3-propyl-1,2,4-oxadiazole
CID 120753387

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-4-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-2-one?
The IUPAC name of 3-(2-chlorophenyl)-4-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-2-one (CID 126795033) is 3-(2-chlorophenyl)-4-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-2-one.
What is the SMILES notation for 3-(2-chlorophenyl)-4-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-2-one?
The canonical SMILES for 3-(2-chlorophenyl)-4-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-2-one is COCCc1noc(CN2CCNC(=O)C2c2ccccc2Cl)n1.
What is the InChIKey of 3-(2-chlorophenyl)-4-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-2-one?
The InChIKey is SFWRWFKNVGTTLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O3/c1-23-9-6-13-19-14(24-20-13)10-21-8-7-18-16(22)15(21)11-4-2-3-5-12(11)17/h2-5,15H,6-10H2,1H3,(H,18,22).
What are the key properties of 3-(2-chlorophenyl)-4-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-2-one?
3-(2-chlorophenyl)-4-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-2-one has a molecular weight of 350.81 g/mol, XLogP of 1.59, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-4-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-2-one is sourced from PubChem (CID 126795033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).