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

C14H14N4O3 — CID 117461676

IUPAC4-[4-(5-amino-1,2-oxazol-4-yl)phenyl]-1-methylpiperazine-2,6-dione
SMILESCN1C(=O)CN(c2ccc(-c3cnoc3N)cc2)CC1=O
InChIInChI=1S/C14H14N4O3/c1-17-12(19)7-18(8-13(17)20)10-4-2-9(3-5-10)11-6-16-21-14(11)15/h2-6H,7-8,15H2,1H3
InChIKeyOBWHWUWLLMRGBI-UHFFFAOYSA-N
MW286.29 g/mol
LogP0.73
Rot. Bonds2

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

4-[4-(5-amino-1,2-oxazol-4-yl)phenyl]-1-methylpiperazine-2,6-dione (PubChem CID 117461676) has the molecular formula C14H14N4O3 and a molecular weight of 286.29 g/mol. Its IUPAC name is 4-[4-(5-amino-1,2-oxazol-4-yl)phenyl]-1-methylpiperazine-2,6-dione.

Molecular Properties

Compound Name4-[4-(5-amino-1,2-oxazol-4-yl)phenyl]-1-methylpiperazine-2,6-dione
PubChem CID117461676
Molecular FormulaC14H14N4O3
Molecular Weight286.29 g/mol
Exact Mass286.11
IUPAC Name4-[4-(5-amino-1,2-oxazol-4-yl)phenyl]-1-methylpiperazine-2,6-dione
SMILESCN1C(=O)CN(c2ccc(-c3cnoc3N)cc2)CC1=O
InChIInChI=1S/C14H14N4O3/c1-17-12(19)7-18(8-13(17)20)10-4-2-9(3-5-10)11-6-16-21-14(11)15/h2-6H,7-8,15H2,1H3
InChIKeyOBWHWUWLLMRGBI-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-[4-(5-amino-1,2-oxazol-4-yl)phenyl]-4-methylpiperazine-2,5-dione
CID 117461675
1-[4-(5-amino-1,2-oxazol-4-yl)phenyl]-3-propan-2-ylimidazol-2-one
CID 117457742
4-[4-(1-methylpiperidin-4-yl)phenyl]-1,2-oxazol-5-amine
CID 117396976
4-[4-(5-bromopyrazol-1-yl)phenyl]-1,2-oxazol-5-amine
CID 117490335
1-[2-(5-amino-1,2-oxazol-4-yl)phenyl]-4-methylpiperazine-2,5-dione
CID 117461674
4-[4-(methylsulfonylmethyl)phenyl]-1,2-oxazol-5-amine
CID 117383874
4-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]-1,2-oxazol-5-amine
CID 117472714
5-(5-amino-1,2-oxazol-4-yl)-1-methyl-3,4-dihydroquinolin-2-one
CID 117359712
4-[4-[(1-aminocyclopropyl)methyl]phenyl]-1-methylpiperazine-2,6-dione
CID 117436103
4-[4-(2-methoxypropan-2-yl)phenyl]-1,2-oxazol-5-amine
CID 117336523
4-[4-(1-methoxyethyl)phenyl]-1,2-oxazol-5-amine
CID 117310978
4-[4-(1-hydroxypropan-2-yl)phenyl]-1-methylpiperazine-2,6-dione
CID 117410361

Frequently Asked Questions

What is the IUPAC name of 4-[4-(5-amino-1,2-oxazol-4-yl)phenyl]-1-methylpiperazine-2,6-dione?
The IUPAC name of 4-[4-(5-amino-1,2-oxazol-4-yl)phenyl]-1-methylpiperazine-2,6-dione (CID 117461676) is 4-[4-(5-amino-1,2-oxazol-4-yl)phenyl]-1-methylpiperazine-2,6-dione.
What is the SMILES notation for 4-[4-(5-amino-1,2-oxazol-4-yl)phenyl]-1-methylpiperazine-2,6-dione?
The canonical SMILES for 4-[4-(5-amino-1,2-oxazol-4-yl)phenyl]-1-methylpiperazine-2,6-dione is CN1C(=O)CN(c2ccc(-c3cnoc3N)cc2)CC1=O.
What is the InChIKey of 4-[4-(5-amino-1,2-oxazol-4-yl)phenyl]-1-methylpiperazine-2,6-dione?
The InChIKey is OBWHWUWLLMRGBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O3/c1-17-12(19)7-18(8-13(17)20)10-4-2-9(3-5-10)11-6-16-21-14(11)15/h2-6H,7-8,15H2,1H3.
What are the key properties of 4-[4-(5-amino-1,2-oxazol-4-yl)phenyl]-1-methylpiperazine-2,6-dione?
4-[4-(5-amino-1,2-oxazol-4-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-[4-(5-amino-1,2-oxazol-4-yl)phenyl]-1-methylpiperazine-2,6-dione is sourced from PubChem (CID 117461676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).