2-[4-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-N-prop-2-enylacetamide

C16H27N5O2 — CID 30787115

IUPAC2-[4-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CN1CCN(Cc2nc(C(C)(C)C)no2)CC1
InChIInChI=1S/C16H27N5O2/c1-5-6-17-13(22)11-20-7-9-21(10-8-20)12-14-18-15(19-23-14)16(2,3)4/h5H,1,6-12H2,2-4H3,(H,17,22)
InChIKeyFLMOCORRNBWXIG-UHFFFAOYSA-N
MW321.43 g/mol
LogP0.79
Rot. Bonds6

About 2-[4-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-N-prop-2-enylacetamide

2-[4-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-N-prop-2-enylacetamide (PubChem CID 30787115) has the molecular formula C16H27N5O2 and a molecular weight of 321.43 g/mol. Its IUPAC name is 2-[4-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-[4-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-N-prop-2-enylacetamide
PubChem CID30787115
Molecular FormulaC16H27N5O2
Molecular Weight321.43 g/mol
Exact Mass321.22
IUPAC Name2-[4-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CN1CCN(Cc2nc(C(C)(C)C)no2)CC1
InChIInChI=1S/C16H27N5O2/c1-5-6-17-13(22)11-20-7-9-21(10-8-20)12-14-18-15(19-23-14)16(2,3)4/h5H,1,6-12H2,2-4H3,(H,17,22)
InChIKeyFLMOCORRNBWXIG-UHFFFAOYSA-N
XLogP0.79
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.43
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2-[1-(3-methyl-2-buten-1-yl)-3-oxo-2-piperazinyl]acetamide
CID 56912594
1-((3-(Propan-2-yl)-1,2,4-oxadiazol-5-yl)methyl)piperazine dihydrochloride
CID 43810461
4-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-N,N-diethylpiperazine-1-carboxamide
CID 45815799
2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]-N-propylacetamide
CID 53522269
1-{[3-(Propan-2-yl)-1,2,4-oxadiazol-5-yl]methyl}piperazine
CID 43235663
2-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 30890869
3-Tert-butyl-5-(piperazin-1-ylmethyl)-1,2,4-oxadiazole
CID 43162335
3-Tert-butyl-5-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole
CID 58523661
3,3-Dimethyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-2-one
CID 68683015
5-tert-butyl-N-[(2E)-penta-2,4-dienyl]-1,2,4-oxadiazole-3-carboxamide
CID 145061557
3-[(2E,4Z)-hexa-2,4-dien-2-yl]-5-(piperazin-1-ylmethyl)-1,2,4-oxadiazole
CID 170071924
4-[[3-(2-Methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-2-one
CID 18282515

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-N-prop-2-enylacetamide?
The IUPAC name of 2-[4-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-N-prop-2-enylacetamide (CID 30787115) is 2-[4-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-N-prop-2-enylacetamide.
What is the SMILES notation for 2-[4-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-N-prop-2-enylacetamide?
The canonical SMILES for 2-[4-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-N-prop-2-enylacetamide is C=CCNC(=O)CN1CCN(Cc2nc(C(C)(C)C)no2)CC1.
What is the InChIKey of 2-[4-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-N-prop-2-enylacetamide?
The InChIKey is FLMOCORRNBWXIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O2/c1-5-6-17-13(22)11-20-7-9-21(10-8-20)12-14-18-15(19-23-14)16(2,3)4/h5H,1,6-12H2,2-4H3,(H,17,22).
What are the key properties of 2-[4-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-N-prop-2-enylacetamide?
2-[4-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-N-prop-2-enylacetamide has a molecular weight of 321.43 g/mol, XLogP of 0.79, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-N-prop-2-enylacetamide is sourced from PubChem (CID 30787115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).