methyl 2-[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-oxopiperazin-2-yl]acetate

C15H23N3O4 — CID 47027259

IUPACmethyl 2-[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-oxopiperazin-2-yl]acetate
SMILESCOC(=O)CC1C(=O)NCCN1Cc1ncc(C(C)(C)C)o1
InChIInChI=1S/C15H23N3O4/c1-15(2,3)11-8-17-12(22-11)9-18-6-5-16-14(20)10(18)7-13(19)21-4/h8,10H,5-7,9H2,1-4H3,(H,16,20)
InChIKeyBQABHDSEBOKBSV-UHFFFAOYSA-N
MW309.37 g/mol
LogP0.84
Rot. Bonds4

About methyl 2-[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-oxopiperazin-2-yl]acetate

methyl 2-[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-oxopiperazin-2-yl]acetate (PubChem CID 47027259) has the molecular formula C15H23N3O4 and a molecular weight of 309.37 g/mol. Its IUPAC name is methyl 2-[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-oxopiperazin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-oxopiperazin-2-yl]acetate
PubChem CID47027259
Molecular FormulaC15H23N3O4
Molecular Weight309.37 g/mol
Exact Mass309.17
IUPAC Namemethyl 2-[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-oxopiperazin-2-yl]acetate
SMILESCOC(=O)CC1C(=O)NCCN1Cc1ncc(C(C)(C)C)o1
InChIInChI=1S/C15H23N3O4/c1-15(2,3)11-8-17-12(22-11)9-18-6-5-16-14(20)10(18)7-13(19)21-4/h8,10H,5-7,9H2,1-4H3,(H,16,20)
InChIKeyBQABHDSEBOKBSV-UHFFFAOYSA-N
XLogP0.84
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 2-[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-oxopiperazin-2-yl]acetate with MolForge

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Related Compounds

methyl 2-[1-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-3-oxopiperazin-2-yl]acetate
CID 46982056
methyl 2-[(2R)-1-[(4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetate
CID 29231924
methyl 2-[(2R)-1-[(4-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetate
CID 952254
methyl 2-[3-oxo-1-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]piperazin-2-yl]acetate
CID 46982057
methyl 2-[(2R)-3-oxo-1-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]piperazin-2-yl]acetate
CID 51872386
methyl 2-[(2R)-1-[(3-chlorophenyl)methyl]-3-oxopiperazin-2-yl]acetate
CID 29231928
methyl 2-[(2S)-3-oxo-1-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperazin-2-yl]acetate
CID 94797382
methyl 2-[1-[2-(4-fluorophenoxy)ethyl]-3-oxopiperazin-2-yl]acetate
CID 47010477
methyl 2-[3-oxo-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]piperazin-2-yl]acetate
CID 47010478
tert-butyl 2-(2-methoxy-2-oxoethyl)-3-oxopiperazine-1-carboxylate
CID 2986153
methyl 2-[(2R)-3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetate
CID 34534079
methyl 2-[1-[[6-methyl-5-(4-methylphenyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]-3-oxopiperazin-2-yl]acetate
CID 46820551

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-oxopiperazin-2-yl]acetate?
The IUPAC name of methyl 2-[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-oxopiperazin-2-yl]acetate (CID 47027259) is methyl 2-[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-oxopiperazin-2-yl]acetate.
What is the SMILES notation for methyl 2-[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-oxopiperazin-2-yl]acetate?
The canonical SMILES for methyl 2-[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-oxopiperazin-2-yl]acetate is COC(=O)CC1C(=O)NCCN1Cc1ncc(C(C)(C)C)o1.
What is the InChIKey of methyl 2-[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-oxopiperazin-2-yl]acetate?
The InChIKey is BQABHDSEBOKBSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O4/c1-15(2,3)11-8-17-12(22-11)9-18-6-5-16-14(20)10(18)7-13(19)21-4/h8,10H,5-7,9H2,1-4H3,(H,16,20).
What are the key properties of methyl 2-[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-oxopiperazin-2-yl]acetate?
methyl 2-[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-oxopiperazin-2-yl]acetate has a molecular weight of 309.37 g/mol, XLogP of 0.84, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-oxopiperazin-2-yl]acetate is sourced from PubChem (CID 47027259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).