2-[4-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanoyl]piperazin-1-yl]-N-prop-2-enylacetamide

C22H29N5O4 — CID 55668102

IUPAC2-[4-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanoyl]piperazin-1-yl]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CN1CCN(C(=O)CCCc2nc(-c3ccc(OC)cc3)no2)CC1
InChIInChI=1S/C22H29N5O4/c1-3-11-23-19(28)16-26-12-14-27(15-13-26)21(29)6-4-5-20-24-22(25-31-20)17-7-9-18(30-2)10-8-17/h3,7-10H,1,4-6,11-16H2,2H3,(H,23,28)
InChIKeyWFYOMHOWXFERQA-UHFFFAOYSA-N
MW427.51 g/mol
LogP1.51
Rot. Bonds10

About 2-[4-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanoyl]piperazin-1-yl]-N-prop-2-enylacetamide

2-[4-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanoyl]piperazin-1-yl]-N-prop-2-enylacetamide (PubChem CID 55668102) has the molecular formula C22H29N5O4 and a molecular weight of 427.51 g/mol. Its IUPAC name is 2-[4-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanoyl]piperazin-1-yl]-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-[4-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanoyl]piperazin-1-yl]-N-prop-2-enylacetamide
PubChem CID55668102
Molecular FormulaC22H29N5O4
Molecular Weight427.51 g/mol
Exact Mass427.22
IUPAC Name2-[4-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanoyl]piperazin-1-yl]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CN1CCN(C(=O)CCCc2nc(-c3ccc(OC)cc3)no2)CC1
InChIInChI=1S/C22H29N5O4/c1-3-11-23-19(28)16-26-12-14-27(15-13-26)21(29)6-4-5-20-24-22(25-31-20)17-7-9-18(30-2)10-8-17/h3,7-10H,1,4-6,11-16H2,2H3,(H,23,28)
InChIKeyWFYOMHOWXFERQA-UHFFFAOYSA-N
XLogP1.51
TPSA100.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.51
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-prop-2-enylpropanamide
CID 46586148
4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[4-(4-methylpiperidin-1-yl)butyl]butanamide
CID 47889008
1-[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]butan-1-one
CID 39686604
2-[4-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanoyl]piperazin-1-yl]-N-ethylacetamide
CID 55566501
1-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butan-1-one;hydrochloride
CID 120658030
2-[4-[[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-N-prop-2-enylacetamide
CID 46514195
4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-[3-(methylaminomethyl)pyrrolidin-1-yl]butan-1-one
CID 119539652
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-(4-methyl-1,4-diazepan-1-yl)propan-1-one
CID 78835844
4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[(2-methylpyrazol-3-yl)methyl]butanamide
CID 31974397
N,N-diethyl-2-[4-[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanoyl]piperazin-1-yl]acetamide
CID 55685644
N-prop-2-enyl-2-[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperazin-1-yl]acetamide
CID 31688514
N-[1-(2,2-difluoroethyl)piperidin-4-yl]-4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 49072892

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanoyl]piperazin-1-yl]-N-prop-2-enylacetamide?
The IUPAC name of 2-[4-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanoyl]piperazin-1-yl]-N-prop-2-enylacetamide (CID 55668102) is 2-[4-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanoyl]piperazin-1-yl]-N-prop-2-enylacetamide.
What is the SMILES notation for 2-[4-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanoyl]piperazin-1-yl]-N-prop-2-enylacetamide?
The canonical SMILES for 2-[4-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanoyl]piperazin-1-yl]-N-prop-2-enylacetamide is C=CCNC(=O)CN1CCN(C(=O)CCCc2nc(-c3ccc(OC)cc3)no2)CC1.
What is the InChIKey of 2-[4-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanoyl]piperazin-1-yl]-N-prop-2-enylacetamide?
The InChIKey is WFYOMHOWXFERQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O4/c1-3-11-23-19(28)16-26-12-14-27(15-13-26)21(29)6-4-5-20-24-22(25-31-20)17-7-9-18(30-2)10-8-17/h3,7-10H,1,4-6,11-16H2,2H3,(H,23,28).
What are the key properties of 2-[4-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanoyl]piperazin-1-yl]-N-prop-2-enylacetamide?
2-[4-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanoyl]piperazin-1-yl]-N-prop-2-enylacetamide has a molecular weight of 427.51 g/mol, XLogP of 1.51, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanoyl]piperazin-1-yl]-N-prop-2-enylacetamide is sourced from PubChem (CID 55668102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).