2-[4-[(1R)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-N,N-dimethylacetamide

C16H29N5O2 — CID 51877805

IUPAC2-[4-[(1R)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-N,N-dimethylacetamide
SMILESC[C@H](c1nc(C(C)(C)C)no1)N1CCN(CC(=O)N(C)C)CC1
InChIInChI=1S/C16H29N5O2/c1-12(14-17-15(18-23-14)16(2,3)4)21-9-7-20(8-10-21)11-13(22)19(5)6/h12H,7-11H2,1-6H3/t12-/m1/s1
InChIKeyNBLBWIBNVQMVNO-GFCCVEGCSA-N
MW323.44 g/mol
LogP1.13
Rot. Bonds4

About 2-[4-[(1R)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-N,N-dimethylacetamide

2-[4-[(1R)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-N,N-dimethylacetamide (PubChem CID 51877805) has the molecular formula C16H29N5O2 and a molecular weight of 323.44 g/mol. Its IUPAC name is 2-[4-[(1R)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[4-[(1R)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-N,N-dimethylacetamide
PubChem CID51877805
Molecular FormulaC16H29N5O2
Molecular Weight323.44 g/mol
Exact Mass323.23
IUPAC Name2-[4-[(1R)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-N,N-dimethylacetamide
SMILESC[C@H](c1nc(C(C)(C)C)no1)N1CCN(CC(=O)N(C)C)CC1
InChIInChI=1S/C16H29N5O2/c1-12(14-17-15(18-23-14)16(2,3)4)21-9-7-20(8-10-21)11-13(22)19(5)6/h12H,7-11H2,1-6H3/t12-/m1/s1
InChIKeyNBLBWIBNVQMVNO-GFCCVEGCSA-N
XLogP1.13
TPSA65.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1R)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[4-[(1R)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-N,N-dimethylacetamide (CID 51877805) is 2-[4-[(1R)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[4-[(1R)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[4-[(1R)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-N,N-dimethylacetamide is C[C@H](c1nc(C(C)(C)C)no1)N1CCN(CC(=O)N(C)C)CC1.
What is the InChIKey of 2-[4-[(1R)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-N,N-dimethylacetamide?
The InChIKey is NBLBWIBNVQMVNO-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H29N5O2/c1-12(14-17-15(18-23-14)16(2,3)4)21-9-7-20(8-10-21)11-13(22)19(5)6/h12H,7-11H2,1-6H3/t12-/m1/s1.
What are the key properties of 2-[4-[(1R)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-N,N-dimethylacetamide?
2-[4-[(1R)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-N,N-dimethylacetamide has a molecular weight of 323.44 g/mol, XLogP of 1.13, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1R)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 51877805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).