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

C14H14N4O3 — CID 117461675

IUPAC1-[4-(5-amino-1,2-oxazol-4-yl)phenyl]-4-methylpiperazine-2,5-dione
SMILESCN1CC(=O)N(c2ccc(-c3cnoc3N)cc2)CC1=O
InChIInChI=1S/C14H14N4O3/c1-17-7-13(20)18(8-12(17)19)10-4-2-9(3-5-10)11-6-16-21-14(11)15/h2-6H,7-8,15H2,1H3
InChIKeyMSZKSGSOZCSSFU-UHFFFAOYSA-N
MW286.29 g/mol
LogP0.73
Rot. Bonds2

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

1-[4-(5-amino-1,2-oxazol-4-yl)phenyl]-4-methylpiperazine-2,5-dione (PubChem CID 117461675) has the molecular formula C14H14N4O3 and a molecular weight of 286.29 g/mol. Its IUPAC name is 1-[4-(5-amino-1,2-oxazol-4-yl)phenyl]-4-methylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-[4-(5-amino-1,2-oxazol-4-yl)phenyl]-4-methylpiperazine-2,5-dione
PubChem CID117461675
Molecular FormulaC14H14N4O3
Molecular Weight286.29 g/mol
Exact Mass286.11
IUPAC Name1-[4-(5-amino-1,2-oxazol-4-yl)phenyl]-4-methylpiperazine-2,5-dione
SMILESCN1CC(=O)N(c2ccc(-c3cnoc3N)cc2)CC1=O
InChIInChI=1S/C14H14N4O3/c1-17-7-13(20)18(8-12(17)19)10-4-2-9(3-5-10)11-6-16-21-14(11)15/h2-6H,7-8,15H2,1H3
InChIKeyMSZKSGSOZCSSFU-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

4-[4-(5-amino-1,2-oxazol-4-yl)phenyl]-1-methylpiperazine-2,6-dione
CID 117461676
1-[2-(5-amino-1,2-oxazol-4-yl)phenyl]-4-methylpiperazine-2,5-dione
CID 117461674
1-[4-(5-amino-1,2-oxazol-4-yl)phenyl]-3-propan-2-ylimidazol-2-one
CID 117457742
1-[4-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]phenyl]-4-methylpiperazine-2,5-dione
CID 117485419
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
4-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)-1,2-oxazol-5-amine
CID 117334117
1-[4-(1-aminocyclopentyl)phenyl]-4-methylpiperazine-2,5-dione
CID 117463796
4-[4-(methylsulfonylmethyl)phenyl]-1,2-oxazol-5-amine
CID 117383874
1-[4-(1-aminocyclopropyl)phenyl]-4-methylpiperazine-2,5-dione
CID 117402030
1-[4-(2-hydroxyethyl)phenyl]-4-methylpiperazine-2,5-dione
CID 117373479
5-(5-amino-1,2-oxazol-4-yl)-3,3-dimethyl-1H-indol-2-one
CID 82478007

Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-amino-1,2-oxazol-4-yl)phenyl]-4-methylpiperazine-2,5-dione?
The IUPAC name of 1-[4-(5-amino-1,2-oxazol-4-yl)phenyl]-4-methylpiperazine-2,5-dione (CID 117461675) is 1-[4-(5-amino-1,2-oxazol-4-yl)phenyl]-4-methylpiperazine-2,5-dione.
What is the SMILES notation for 1-[4-(5-amino-1,2-oxazol-4-yl)phenyl]-4-methylpiperazine-2,5-dione?
The canonical SMILES for 1-[4-(5-amino-1,2-oxazol-4-yl)phenyl]-4-methylpiperazine-2,5-dione is CN1CC(=O)N(c2ccc(-c3cnoc3N)cc2)CC1=O.
What is the InChIKey of 1-[4-(5-amino-1,2-oxazol-4-yl)phenyl]-4-methylpiperazine-2,5-dione?
The InChIKey is MSZKSGSOZCSSFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O3/c1-17-7-13(20)18(8-12(17)19)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 1-[4-(5-amino-1,2-oxazol-4-yl)phenyl]-4-methylpiperazine-2,5-dione?
1-[4-(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-[4-(5-amino-1,2-oxazol-4-yl)phenyl]-4-methylpiperazine-2,5-dione is sourced from PubChem (CID 117461675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).