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

C15H16N4O4 — CID 51076217

IUPAC4-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]piperazin-2-one
SMILESCc1nc(COc2ccccc2C(=O)N2CCNC(=O)C2)no1
InChIInChI=1S/C15H16N4O4/c1-10-17-13(18-23-10)9-22-12-5-3-2-4-11(12)15(21)19-7-6-16-14(20)8-19/h2-5H,6-9H2,1H3,(H,16,20)
InChIKeyDLQCMFSZGPKPLX-UHFFFAOYSA-N
MW316.32 g/mol
LogP0.53
Rot. Bonds4

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

4-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]piperazin-2-one (PubChem CID 51076217) has the molecular formula C15H16N4O4 and a molecular weight of 316.32 g/mol. Its IUPAC name is 4-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]piperazin-2-one.

Molecular Properties

Compound Name4-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]piperazin-2-one
PubChem CID51076217
Molecular FormulaC15H16N4O4
Molecular Weight316.32 g/mol
Exact Mass316.12
IUPAC Name4-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]piperazin-2-one
SMILESCc1nc(COc2ccccc2C(=O)N2CCNC(=O)C2)no1
InChIInChI=1S/C15H16N4O4/c1-10-17-13(18-23-10)9-22-12-5-3-2-4-11(12)15(21)19-7-6-16-14(20)8-19/h2-5H,6-9H2,1H3,(H,16,20)
InChIKeyDLQCMFSZGPKPLX-UHFFFAOYSA-N
XLogP0.53
TPSA97.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.32
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanone
CID 31306830
[4-(methylamino)piperidin-1-yl]-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanone;hydrochloride
CID 119563137
(3R)-1-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]pyrrolidine-3-carboxylic acid
CID 125135028
[3-(methylamino)piperidin-1-yl]-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanone
CID 119492510
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanone
CID 120809283
[4-(3-chlorophenyl)piperazin-1-yl]-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanone
CID 31302422
[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanone
CID 16594075
2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-piperidin-3-ylbenzamide;hydrochloride
CID 119428154
N-(4-fluorophenyl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 31301282
N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 16591688
2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-(2,2,2-trifluoroethyl)benzamide
CID 51075427
N-(4-methoxyphenyl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 46688985

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]piperazin-2-one?
The IUPAC name of 4-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]piperazin-2-one (CID 51076217) is 4-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]piperazin-2-one.
What is the SMILES notation for 4-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]piperazin-2-one?
The canonical SMILES for 4-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]piperazin-2-one is Cc1nc(COc2ccccc2C(=O)N2CCNC(=O)C2)no1.
What is the InChIKey of 4-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]piperazin-2-one?
The InChIKey is DLQCMFSZGPKPLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O4/c1-10-17-13(18-23-10)9-22-12-5-3-2-4-11(12)15(21)19-7-6-16-14(20)8-19/h2-5H,6-9H2,1H3,(H,16,20).
What are the key properties of 4-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]piperazin-2-one?
4-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]piperazin-2-one has a molecular weight of 316.32 g/mol, XLogP of 0.53, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]piperazin-2-one is sourced from PubChem (CID 51076217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).