2,2-dimethyl-1-[4-[1-(5-phenyl-1,3-oxazol-2-yl)ethyl]piperazin-1-yl]propan-1-one

C20H27N3O2 — CID 56793230

IUPAC2,2-dimethyl-1-[4-[1-(5-phenyl-1,3-oxazol-2-yl)ethyl]piperazin-1-yl]propan-1-one
SMILESCC(c1ncc(-c2ccccc2)o1)N1CCN(C(=O)C(C)(C)C)CC1
InChIInChI=1S/C20H27N3O2/c1-15(18-21-14-17(25-18)16-8-6-5-7-9-16)22-10-12-23(13-11-22)19(24)20(2,3)4/h5-9,14-15H,10-13H2,1-4H3
InChIKeyVXFYYJNEFHNGFL-UHFFFAOYSA-N
MW341.46 g/mol
LogP3.59
Rot. Bonds3

About 2,2-dimethyl-1-[4-[1-(5-phenyl-1,3-oxazol-2-yl)ethyl]piperazin-1-yl]propan-1-one

2,2-dimethyl-1-[4-[1-(5-phenyl-1,3-oxazol-2-yl)ethyl]piperazin-1-yl]propan-1-one (PubChem CID 56793230) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is 2,2-dimethyl-1-[4-[1-(5-phenyl-1,3-oxazol-2-yl)ethyl]piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-[4-[1-(5-phenyl-1,3-oxazol-2-yl)ethyl]piperazin-1-yl]propan-1-one
PubChem CID56793230
Molecular FormulaC20H27N3O2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC Name2,2-dimethyl-1-[4-[1-(5-phenyl-1,3-oxazol-2-yl)ethyl]piperazin-1-yl]propan-1-one
SMILESCC(c1ncc(-c2ccccc2)o1)N1CCN(C(=O)C(C)(C)C)CC1
InChIInChI=1S/C20H27N3O2/c1-15(18-21-14-17(25-18)16-8-6-5-7-9-16)22-10-12-23(13-11-22)19(24)20(2,3)4/h5-9,14-15H,10-13H2,1-4H3
InChIKeyVXFYYJNEFHNGFL-UHFFFAOYSA-N
XLogP3.59
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-[4-[1-(5-phenyl-1,3-oxazol-2-yl)ethyl]piperazin-1-yl]propan-1-one?
The IUPAC name of 2,2-dimethyl-1-[4-[1-(5-phenyl-1,3-oxazol-2-yl)ethyl]piperazin-1-yl]propan-1-one (CID 56793230) is 2,2-dimethyl-1-[4-[1-(5-phenyl-1,3-oxazol-2-yl)ethyl]piperazin-1-yl]propan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-[4-[1-(5-phenyl-1,3-oxazol-2-yl)ethyl]piperazin-1-yl]propan-1-one?
The canonical SMILES for 2,2-dimethyl-1-[4-[1-(5-phenyl-1,3-oxazol-2-yl)ethyl]piperazin-1-yl]propan-1-one is CC(c1ncc(-c2ccccc2)o1)N1CCN(C(=O)C(C)(C)C)CC1.
What is the InChIKey of 2,2-dimethyl-1-[4-[1-(5-phenyl-1,3-oxazol-2-yl)ethyl]piperazin-1-yl]propan-1-one?
The InChIKey is VXFYYJNEFHNGFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-15(18-21-14-17(25-18)16-8-6-5-7-9-16)22-10-12-23(13-11-22)19(24)20(2,3)4/h5-9,14-15H,10-13H2,1-4H3.
What are the key properties of 2,2-dimethyl-1-[4-[1-(5-phenyl-1,3-oxazol-2-yl)ethyl]piperazin-1-yl]propan-1-one?
2,2-dimethyl-1-[4-[1-(5-phenyl-1,3-oxazol-2-yl)ethyl]piperazin-1-yl]propan-1-one has a molecular weight of 341.46 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-[4-[1-(5-phenyl-1,3-oxazol-2-yl)ethyl]piperazin-1-yl]propan-1-one is sourced from PubChem (CID 56793230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).