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

C14H16N4O3 — CID 34690887

IUPAC4-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-2-one
SMILESCOc1ccc(-c2nnc(CN3CCNC(=O)C3)o2)cc1
InChIInChI=1S/C14H16N4O3/c1-20-11-4-2-10(3-5-11)14-17-16-13(21-14)9-18-7-6-15-12(19)8-18/h2-5H,6-9H2,1H3,(H,15,19)
InChIKeyLUWDPISSTYKBPK-UHFFFAOYSA-N
MW288.31 g/mol
LogP0.68
Rot. Bonds4

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

4-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-2-one (PubChem CID 34690887) has the molecular formula C14H16N4O3 and a molecular weight of 288.31 g/mol. Its IUPAC name is 4-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-2-one.

Molecular Properties

Compound Name4-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-2-one
PubChem CID34690887
Molecular FormulaC14H16N4O3
Molecular Weight288.31 g/mol
Exact Mass288.12
IUPAC Name4-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-2-one
SMILESCOc1ccc(-c2nnc(CN3CCNC(=O)C3)o2)cc1
InChIInChI=1S/C14H16N4O3/c1-20-11-4-2-10(3-5-11)14-17-16-13(21-14)9-18-7-6-15-12(19)8-18/h2-5H,6-9H2,1H3,(H,15,19)
InChIKeyLUWDPISSTYKBPK-UHFFFAOYSA-N
XLogP0.68
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[5-(4-Methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-piperidin-1-ylethanone
CID 865334
[3-[3-Fluoro-4-[(4-methylpiperazin-1-yl)methyl]phenoxy]azetidin-1-yl]-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methanone
CID 56597991
[3-[4-[(Dimethylamino)methyl]phenoxy]azetidin-1-yl]-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methanone
CID 56598130
N-cyclohexyl-2-{[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetamide
CID 697202
4-(1,3,4-Oxadiazol-2-yl)phenyl morpholine-4-carboxylate
CID 700115
2-[5-(4-Methoxy-phenyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-N-phenethyl-acetamide
CID 1073178
1-(3,5-Dimethylpiperidin-1-yl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]ethanone
CID 2999070
4-methoxy-N-({5-[(2-oxo-2-piperidin-1-ylethyl)thio]-1,3,4-oxadiazol-2-yl}methyl)benzamide
CID 4140680
4-Methoxy-N-[(5-{[2-(morpholin-4-YL)-2-oxoethyl]sulfanyl}-1,3,4-oxadiazol-2-YL)methyl]benzamide
CID 4140777
4-Methoxy-N-[(5-{[2-(4-methylpiperidin-1-YL)-2-oxoethyl]sulfanyl}-1,3,4-oxadiazol-2-YL)methyl]benzamide
CID 4140778
[5-(4-Methoxyphenyl)-1,3,4-oxadiazol-2-yl]-[4-[4-(morpholin-4-ylmethyl)phenoxy]piperidin-1-yl]methanone
CID 127031354
[5-(4-Methoxyphenyl)-1,3,4-oxadiazol-2-yl]-[4-[4-(pyrrolidin-1-ylmethyl)phenoxy]piperidin-1-yl]methanone
CID 127031621

Frequently Asked Questions

What is the IUPAC name of 4-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-2-one?
The IUPAC name of 4-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-2-one (CID 34690887) is 4-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-2-one.
What is the SMILES notation for 4-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-2-one?
The canonical SMILES for 4-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-2-one is COc1ccc(-c2nnc(CN3CCNC(=O)C3)o2)cc1.
What is the InChIKey of 4-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-2-one?
The InChIKey is LUWDPISSTYKBPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3/c1-20-11-4-2-10(3-5-11)14-17-16-13(21-14)9-18-7-6-15-12(19)8-18/h2-5H,6-9H2,1H3,(H,15,19).
What are the key properties of 4-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-2-one?
4-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-2-one has a molecular weight of 288.31 g/mol, XLogP of 0.68, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-2-one is sourced from PubChem (CID 34690887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).