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

C14H14N4O3 — CID 117461674

IUPAC1-[2-(5-amino-1,2-oxazol-4-yl)phenyl]-4-methylpiperazine-2,5-dione
SMILESCN1CC(=O)N(c2ccccc2-c2cnoc2N)CC1=O
InChIInChI=1S/C14H14N4O3/c1-17-7-13(20)18(8-12(17)19)11-5-3-2-4-9(11)10-6-16-21-14(10)15/h2-6H,7-8,15H2,1H3
InChIKeyOQDFQFOSPUNCLG-UHFFFAOYSA-N
MW286.29 g/mol
LogP0.73
Rot. Bonds2

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

1-[2-(5-amino-1,2-oxazol-4-yl)phenyl]-4-methylpiperazine-2,5-dione (PubChem CID 117461674) has the molecular formula C14H14N4O3 and a molecular weight of 286.29 g/mol. Its IUPAC name is 1-[2-(5-amino-1,2-oxazol-4-yl)phenyl]-4-methylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-[2-(5-amino-1,2-oxazol-4-yl)phenyl]-4-methylpiperazine-2,5-dione
PubChem CID117461674
Molecular FormulaC14H14N4O3
Molecular Weight286.29 g/mol
Exact Mass286.11
IUPAC Name1-[2-(5-amino-1,2-oxazol-4-yl)phenyl]-4-methylpiperazine-2,5-dione
SMILESCN1CC(=O)N(c2ccccc2-c2cnoc2N)CC1=O
InChIInChI=1S/C14H14N4O3/c1-17-7-13(20)18(8-12(17)19)11-5-3-2-4-9(11)10-6-16-21-14(10)15/h2-6H,7-8,15H2,1H3
InChIKeyOQDFQFOSPUNCLG-UHFFFAOYSA-N
XLogP0.73
TPSA92.67 Ų
H-Bond Donors1
H-Bond Acceptors5
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 ≤ 105

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Related Compounds

1-[4-(5-amino-1,2-oxazol-4-yl)phenyl]-4-methylpiperazine-2,5-dione
CID 117461675
1-[2-(3-amino-1,2-oxazol-5-yl)phenyl]-4-methylpiperazine-2,5-dione
CID 117461656
4-[2-(4-methylpiperazin-1-yl)phenyl]-1,2-oxazol-5-amine
CID 117399587
5-(5-amino-1,2-oxazol-4-yl)-1-methyl-3,4-dihydroquinolin-2-one
CID 117359712
4-(2-imidazol-1-ylphenyl)-1,2-oxazol-5-amine
CID 117325152
4-[4-(5-amino-1,2-oxazol-4-yl)phenyl]-1-methylpiperazine-2,6-dione
CID 117461676
1-[2-[(1-hydroxycyclopropyl)methyl]phenyl]-4-methylpiperazine-2,5-dione
CID 117438331
1-methyl-4-(2-propan-2-yloxyphenyl)piperazine-2,5-dione
CID 117026343
4-(3-methoxy-2-methylphenyl)-1,2-oxazol-5-amine
CID 117292477
1-[2-(5-amino-1,2-oxazol-4-yl)phenyl]ethane-1,2-diol
CID 117313958
1-methyl-2H-indol-3-one
CID 10125067
1,4,7-trimethyl-1,4,7-triazonane-2,5,8-trione
CID 71358039

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-amino-1,2-oxazol-4-yl)phenyl]-4-methylpiperazine-2,5-dione?
The IUPAC name of 1-[2-(5-amino-1,2-oxazol-4-yl)phenyl]-4-methylpiperazine-2,5-dione (CID 117461674) is 1-[2-(5-amino-1,2-oxazol-4-yl)phenyl]-4-methylpiperazine-2,5-dione.
What is the SMILES notation for 1-[2-(5-amino-1,2-oxazol-4-yl)phenyl]-4-methylpiperazine-2,5-dione?
The canonical SMILES for 1-[2-(5-amino-1,2-oxazol-4-yl)phenyl]-4-methylpiperazine-2,5-dione is CN1CC(=O)N(c2ccccc2-c2cnoc2N)CC1=O.
What is the InChIKey of 1-[2-(5-amino-1,2-oxazol-4-yl)phenyl]-4-methylpiperazine-2,5-dione?
The InChIKey is OQDFQFOSPUNCLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O3/c1-17-7-13(20)18(8-12(17)19)11-5-3-2-4-9(11)10-6-16-21-14(10)15/h2-6H,7-8,15H2,1H3.
What are the key properties of 1-[2-(5-amino-1,2-oxazol-4-yl)phenyl]-4-methylpiperazine-2,5-dione?
1-[2-(5-amino-1,2-oxazol-4-yl)phenyl]-4-methylpiperazine-2,5-dione has a molecular weight of 286.29 g/mol, XLogP of 0.73, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-amino-1,2-oxazol-4-yl)phenyl]-4-methylpiperazine-2,5-dione is sourced from PubChem (CID 117461674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).