2-[4-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-N-prop-2-enylacetamide

C16H27N5O2 — CID 30803797

IUPAC2-[4-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CN1CCN([C@@H](C)c2nc(C(C)C)no2)CC1
InChIInChI=1S/C16H27N5O2/c1-5-6-17-14(22)11-20-7-9-21(10-8-20)13(4)16-18-15(12(2)3)19-23-16/h5,12-13H,1,6-11H2,2-4H3,(H,17,22)/t13-/m0/s1
InChIKeyXZJBWMGUXIXGCR-ZDUSSCGKSA-N
MW321.43 g/mol
LogP1.17
Rot. Bonds7

About 2-[4-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-N-prop-2-enylacetamide

2-[4-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-N-prop-2-enylacetamide (PubChem CID 30803797) has the molecular formula C16H27N5O2 and a molecular weight of 321.43 g/mol. Its IUPAC name is 2-[4-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-[4-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-N-prop-2-enylacetamide
PubChem CID30803797
Molecular FormulaC16H27N5O2
Molecular Weight321.43 g/mol
Exact Mass321.22
IUPAC Name2-[4-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CN1CCN([C@@H](C)c2nc(C(C)C)no2)CC1
InChIInChI=1S/C16H27N5O2/c1-5-6-17-14(22)11-20-7-9-21(10-8-20)13(4)16-18-15(12(2)3)19-23-16/h5,12-13H,1,6-11H2,2-4H3,(H,17,22)/t13-/m0/s1
InChIKeyXZJBWMGUXIXGCR-ZDUSSCGKSA-N
XLogP1.17
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.43
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-N-prop-2-enylacetamide?
The IUPAC name of 2-[4-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-N-prop-2-enylacetamide (CID 30803797) is 2-[4-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-N-prop-2-enylacetamide.
What is the SMILES notation for 2-[4-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-N-prop-2-enylacetamide?
The canonical SMILES for 2-[4-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-N-prop-2-enylacetamide is C=CCNC(=O)CN1CCN([C@@H](C)c2nc(C(C)C)no2)CC1.
What is the InChIKey of 2-[4-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-N-prop-2-enylacetamide?
The InChIKey is XZJBWMGUXIXGCR-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H27N5O2/c1-5-6-17-14(22)11-20-7-9-21(10-8-20)13(4)16-18-15(12(2)3)19-23-16/h5,12-13H,1,6-11H2,2-4H3,(H,17,22)/t13-/m0/s1.
What are the key properties of 2-[4-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-N-prop-2-enylacetamide?
2-[4-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-N-prop-2-enylacetamide has a molecular weight of 321.43 g/mol, XLogP of 1.17, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-N-prop-2-enylacetamide is sourced from PubChem (CID 30803797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).