4-[2-(3-amino-1,2-oxazol-5-yl)phenyl]-1-methylpiperazine-2,6-dione

C14H14N4O3 — CID 117461655

IUPAC4-[2-(3-amino-1,2-oxazol-5-yl)phenyl]-1-methylpiperazine-2,6-dione
SMILESCN1C(=O)CN(c2ccccc2-c2cc(N)no2)CC1=O
InChIInChI=1S/C14H14N4O3/c1-17-13(19)7-18(8-14(17)20)10-5-3-2-4-9(10)11-6-12(15)16-21-11/h2-6H,7-8H2,1H3,(H2,15,16)
InChIKeyQHHZPRIBRPMVGX-UHFFFAOYSA-N
MW286.29 g/mol
LogP0.73
Rot. Bonds2

About 4-[2-(3-amino-1,2-oxazol-5-yl)phenyl]-1-methylpiperazine-2,6-dione

4-[2-(3-amino-1,2-oxazol-5-yl)phenyl]-1-methylpiperazine-2,6-dione (PubChem CID 117461655) has the molecular formula C14H14N4O3 and a molecular weight of 286.29 g/mol. Its IUPAC name is 4-[2-(3-amino-1,2-oxazol-5-yl)phenyl]-1-methylpiperazine-2,6-dione.

Molecular Properties

Compound Name4-[2-(3-amino-1,2-oxazol-5-yl)phenyl]-1-methylpiperazine-2,6-dione
PubChem CID117461655
Molecular FormulaC14H14N4O3
Molecular Weight286.29 g/mol
Exact Mass286.11
IUPAC Name4-[2-(3-amino-1,2-oxazol-5-yl)phenyl]-1-methylpiperazine-2,6-dione
SMILESCN1C(=O)CN(c2ccccc2-c2cc(N)no2)CC1=O
InChIInChI=1S/C14H14N4O3/c1-17-13(19)7-18(8-14(17)20)10-5-3-2-4-9(10)11-6-12(15)16-21-11/h2-6H,7-8H2,1H3,(H2,15,16)
InChIKeyQHHZPRIBRPMVGX-UHFFFAOYSA-N
XLogP0.73
TPSA92.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(3-amino-1,2-oxazol-5-yl)phenyl]-4-methylpiperazine-2,5-dione
CID 117461656
3-[2-(3-amino-1,2-oxazol-5-yl)phenyl]-1,4-dimethylimidazol-2-one
CID 117428885
5-(2-propan-2-ylphenyl)-1,2-oxazol-3-amine
CID 117290994
5-(2-iodophenyl)-1,2-oxazol-3-amine
CID 66200615
7-(3-amino-1,2-oxazol-5-yl)-1-methyl-3,4-dihydroquinolin-2-one
CID 117359646
5-[2-(1,1-difluoroethyl)phenyl]-1,2-oxazol-3-amine
CID 117321347
5-[2-(1-methoxycyclopropyl)phenyl]-1,2-oxazol-3-amine
CID 115111671
5-(2-cyclopentylphenyl)-1,2-oxazol-3-amine
CID 117329052
5-(2-cyclopropyloxyphenyl)-1,2-oxazol-3-amine
CID 117307996
ethane;5-phenyl-1,2-oxazol-3-amine
CID 145311661
5-(5-fluoro-2-piperidin-1-ylphenyl)-1,2-oxazol-3-amine
CID 117407236
5-[2-(dimethylamino)-3-fluorophenyl]-1,2-oxazol-3-amine
CID 115111733

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-amino-1,2-oxazol-5-yl)phenyl]-1-methylpiperazine-2,6-dione?
The IUPAC name of 4-[2-(3-amino-1,2-oxazol-5-yl)phenyl]-1-methylpiperazine-2,6-dione (CID 117461655) is 4-[2-(3-amino-1,2-oxazol-5-yl)phenyl]-1-methylpiperazine-2,6-dione.
What is the SMILES notation for 4-[2-(3-amino-1,2-oxazol-5-yl)phenyl]-1-methylpiperazine-2,6-dione?
The canonical SMILES for 4-[2-(3-amino-1,2-oxazol-5-yl)phenyl]-1-methylpiperazine-2,6-dione is CN1C(=O)CN(c2ccccc2-c2cc(N)no2)CC1=O.
What is the InChIKey of 4-[2-(3-amino-1,2-oxazol-5-yl)phenyl]-1-methylpiperazine-2,6-dione?
The InChIKey is QHHZPRIBRPMVGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O3/c1-17-13(19)7-18(8-14(17)20)10-5-3-2-4-9(10)11-6-12(15)16-21-11/h2-6H,7-8H2,1H3,(H2,15,16).
What are the key properties of 4-[2-(3-amino-1,2-oxazol-5-yl)phenyl]-1-methylpiperazine-2,6-dione?
4-[2-(3-amino-1,2-oxazol-5-yl)phenyl]-1-methylpiperazine-2,6-dione has a molecular weight of 286.29 g/mol, XLogP of 0.73, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-amino-1,2-oxazol-5-yl)phenyl]-1-methylpiperazine-2,6-dione is sourced from PubChem (CID 117461655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).