methyl 2-[(2S)-3-oxo-1-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperazin-2-yl]acetate

C17H19N3O4 — CID 94797382

IUPACmethyl 2-[(2S)-3-oxo-1-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperazin-2-yl]acetate
SMILESCOC(=O)C[C@H]1C(=O)NCCN1Cc1coc(-c2ccccc2)n1
InChIInChI=1S/C17H19N3O4/c1-23-15(21)9-14-16(22)18-7-8-20(14)10-13-11-24-17(19-13)12-5-3-2-4-6-12/h2-6,11,14H,7-10H2,1H3,(H,18,22)/t14-/m0/s1
InChIKeyVGRWWZCKTFHOPW-AWEZNQCLSA-N
MW329.36 g/mol
LogP1.21
Rot. Bonds5

About methyl 2-[(2S)-3-oxo-1-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperazin-2-yl]acetate

methyl 2-[(2S)-3-oxo-1-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperazin-2-yl]acetate (PubChem CID 94797382) has the molecular formula C17H19N3O4 and a molecular weight of 329.36 g/mol. Its IUPAC name is methyl 2-[(2S)-3-oxo-1-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperazin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(2S)-3-oxo-1-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperazin-2-yl]acetate
PubChem CID94797382
Molecular FormulaC17H19N3O4
Molecular Weight329.36 g/mol
Exact Mass329.14
IUPAC Namemethyl 2-[(2S)-3-oxo-1-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperazin-2-yl]acetate
SMILESCOC(=O)C[C@H]1C(=O)NCCN1Cc1coc(-c2ccccc2)n1
InChIInChI=1S/C17H19N3O4/c1-23-15(21)9-14-16(22)18-7-8-20(14)10-13-11-24-17(19-13)12-5-3-2-4-6-12/h2-6,11,14H,7-10H2,1H3,(H,18,22)/t14-/m0/s1
InChIKeyVGRWWZCKTFHOPW-AWEZNQCLSA-N
XLogP1.21
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 2-[(2S)-3-oxo-1-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperazin-2-yl]acetate with MolForge

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Related Compounds

7-phenyl-1-[(2-phenyl-1,3-oxazol-4-yl)methyl]-1,4-diazepan-5-one
CID 71880430
methyl 2-[3-oxo-1-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]piperazin-2-yl]acetate
CID 46982057
methyl 2-[(2R)-1-[(4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetate
CID 29231924
methyl 2-[(2R)-3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetate
CID 34534079
methyl 2-[(2S)-1-[2-(benzylamino)-2-oxoethyl]-3-oxopiperazin-2-yl]acetate
CID 8560174
methyl 2-[(2R)-1-[(3-chlorophenyl)methyl]-3-oxopiperazin-2-yl]acetate
CID 29231928
methyl 2-[3-oxo-1-(phenylcarbamoyl)piperazin-2-yl]acetate
CID 656047
methyl 2-[(2R)-1-[(4-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetate
CID 952254
methyl 2-[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-oxopiperazin-2-yl]acetate
CID 47027259
methyl 2-[1-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-3-oxopiperazin-2-yl]acetate
CID 46982056
methyl 2-[(2S)-3-oxo-1-[(4-phenylbenzoyl)carbamothioyl]piperazin-2-yl]acetate
CID 7393662
methyl 2-[(2S)-1-[2-(2-ethoxyanilino)-2-oxoethyl]-3-oxopiperazin-2-yl]acetate
CID 8560991

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2S)-3-oxo-1-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperazin-2-yl]acetate?
The IUPAC name of methyl 2-[(2S)-3-oxo-1-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperazin-2-yl]acetate (CID 94797382) is methyl 2-[(2S)-3-oxo-1-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperazin-2-yl]acetate.
What is the SMILES notation for methyl 2-[(2S)-3-oxo-1-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperazin-2-yl]acetate?
The canonical SMILES for methyl 2-[(2S)-3-oxo-1-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperazin-2-yl]acetate is COC(=O)C[C@H]1C(=O)NCCN1Cc1coc(-c2ccccc2)n1.
What is the InChIKey of methyl 2-[(2S)-3-oxo-1-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperazin-2-yl]acetate?
The InChIKey is VGRWWZCKTFHOPW-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H19N3O4/c1-23-15(21)9-14-16(22)18-7-8-20(14)10-13-11-24-17(19-13)12-5-3-2-4-6-12/h2-6,11,14H,7-10H2,1H3,(H,18,22)/t14-/m0/s1.
What are the key properties of methyl 2-[(2S)-3-oxo-1-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperazin-2-yl]acetate?
methyl 2-[(2S)-3-oxo-1-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperazin-2-yl]acetate has a molecular weight of 329.36 g/mol, XLogP of 1.21, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2S)-3-oxo-1-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperazin-2-yl]acetate is sourced from PubChem (CID 94797382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).