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

C14H14N4O3 — CID 117461656

IUPAC1-[2-(3-amino-1,2-oxazol-5-yl)phenyl]-4-methylpiperazine-2,5-dione
SMILESCN1CC(=O)N(c2ccccc2-c2cc(N)no2)CC1=O
InChIInChI=1S/C14H14N4O3/c1-17-7-14(20)18(8-13(17)19)10-5-3-2-4-9(10)11-6-12(15)16-21-11/h2-6H,7-8H2,1H3,(H2,15,16)
InChIKeyLHAAUHZKBFJVSY-UHFFFAOYSA-N
MW286.29 g/mol
LogP0.73
Rot. Bonds2

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

1-[2-(3-amino-1,2-oxazol-5-yl)phenyl]-4-methylpiperazine-2,5-dione (PubChem CID 117461656) has the molecular formula C14H14N4O3 and a molecular weight of 286.29 g/mol. Its IUPAC name is 1-[2-(3-amino-1,2-oxazol-5-yl)phenyl]-4-methylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-[2-(3-amino-1,2-oxazol-5-yl)phenyl]-4-methylpiperazine-2,5-dione
PubChem CID117461656
Molecular FormulaC14H14N4O3
Molecular Weight286.29 g/mol
Exact Mass286.11
IUPAC Name1-[2-(3-amino-1,2-oxazol-5-yl)phenyl]-4-methylpiperazine-2,5-dione
SMILESCN1CC(=O)N(c2ccccc2-c2cc(N)no2)CC1=O
InChIInChI=1S/C14H14N4O3/c1-17-7-14(20)18(8-13(17)19)10-5-3-2-4-9(10)11-6-12(15)16-21-11/h2-6H,7-8H2,1H3,(H2,15,16)
InChIKeyLHAAUHZKBFJVSY-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-[2-(3-amino-1,2-oxazol-5-yl)phenyl]-1-methylpiperazine-2,6-dione
CID 117461655
1-[2-(5-amino-1,2-oxazol-4-yl)phenyl]-4-methylpiperazine-2,5-dione
CID 117461674
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
5-[2-(1,1-difluoroethyl)phenyl]-1,2-oxazol-3-amine
CID 117321347
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
5-(2-cyclopentylphenyl)-1,2-oxazol-3-amine
CID 117329052
5-(2-cyclopropyloxyphenyl)-1,2-oxazol-3-amine
CID 117307996
5-[2-(1-methylazepan-4-yl)phenyl]-1,2-oxazol-3-amine
CID 117431573
7-(3-amino-1,2-oxazol-5-yl)-1-methyl-3,4-dihydroquinolin-2-one
CID 117359646

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-amino-1,2-oxazol-5-yl)phenyl]-4-methylpiperazine-2,5-dione?
The IUPAC name of 1-[2-(3-amino-1,2-oxazol-5-yl)phenyl]-4-methylpiperazine-2,5-dione (CID 117461656) is 1-[2-(3-amino-1,2-oxazol-5-yl)phenyl]-4-methylpiperazine-2,5-dione.
What is the SMILES notation for 1-[2-(3-amino-1,2-oxazol-5-yl)phenyl]-4-methylpiperazine-2,5-dione?
The canonical SMILES for 1-[2-(3-amino-1,2-oxazol-5-yl)phenyl]-4-methylpiperazine-2,5-dione is CN1CC(=O)N(c2ccccc2-c2cc(N)no2)CC1=O.
What is the InChIKey of 1-[2-(3-amino-1,2-oxazol-5-yl)phenyl]-4-methylpiperazine-2,5-dione?
The InChIKey is LHAAUHZKBFJVSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O3/c1-17-7-14(20)18(8-13(17)19)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 1-[2-(3-amino-1,2-oxazol-5-yl)phenyl]-4-methylpiperazine-2,5-dione?
1-[2-(3-amino-1,2-oxazol-5-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-(3-amino-1,2-oxazol-5-yl)phenyl]-4-methylpiperazine-2,5-dione is sourced from PubChem (CID 117461656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).