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

C10H14N4O3 — CID 146373999

IUPAC6-[(4-amino-1,3-oxazol-2-yl)methyl]-3,3-dimethylpiperazine-2,5-dione
SMILESCC1(C)NC(=O)C(Cc2nc(N)co2)NC1=O
InChIInChI=1S/C10H14N4O3/c1-10(2)9(16)12-5(8(15)14-10)3-7-13-6(11)4-17-7/h4-5H,3,11H2,1-2H3,(H,12,16)(H,14,15)
InChIKeyCMPOGWZZAZPVNF-UHFFFAOYSA-N
MW238.25 g/mol
LogP-0.81
Rot. Bonds2

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

6-[(4-amino-1,3-oxazol-2-yl)methyl]-3,3-dimethylpiperazine-2,5-dione (PubChem CID 146373999) has the molecular formula C10H14N4O3 and a molecular weight of 238.25 g/mol. Its IUPAC name is 6-[(4-amino-1,3-oxazol-2-yl)methyl]-3,3-dimethylpiperazine-2,5-dione.

Molecular Properties

Compound Name6-[(4-amino-1,3-oxazol-2-yl)methyl]-3,3-dimethylpiperazine-2,5-dione
PubChem CID146373999
Molecular FormulaC10H14N4O3
Molecular Weight238.25 g/mol
Exact Mass238.11
IUPAC Name6-[(4-amino-1,3-oxazol-2-yl)methyl]-3,3-dimethylpiperazine-2,5-dione
SMILESCC1(C)NC(=O)C(Cc2nc(N)co2)NC1=O
InChIInChI=1S/C10H14N4O3/c1-10(2)9(16)12-5(8(15)14-10)3-7-13-6(11)4-17-7/h4-5H,3,11H2,1-2H3,(H,12,16)(H,14,15)
InChIKeyCMPOGWZZAZPVNF-UHFFFAOYSA-N
XLogP-0.81
TPSA110.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 5-0.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-amino-1,3-oxazol-2-yl)methyl]-3,3-dimethylpiperazine-2,5-dione?
The IUPAC name of 6-[(4-amino-1,3-oxazol-2-yl)methyl]-3,3-dimethylpiperazine-2,5-dione (CID 146373999) is 6-[(4-amino-1,3-oxazol-2-yl)methyl]-3,3-dimethylpiperazine-2,5-dione.
What is the SMILES notation for 6-[(4-amino-1,3-oxazol-2-yl)methyl]-3,3-dimethylpiperazine-2,5-dione?
The canonical SMILES for 6-[(4-amino-1,3-oxazol-2-yl)methyl]-3,3-dimethylpiperazine-2,5-dione is CC1(C)NC(=O)C(Cc2nc(N)co2)NC1=O.
What is the InChIKey of 6-[(4-amino-1,3-oxazol-2-yl)methyl]-3,3-dimethylpiperazine-2,5-dione?
The InChIKey is CMPOGWZZAZPVNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O3/c1-10(2)9(16)12-5(8(15)14-10)3-7-13-6(11)4-17-7/h4-5H,3,11H2,1-2H3,(H,12,16)(H,14,15).
What are the key properties of 6-[(4-amino-1,3-oxazol-2-yl)methyl]-3,3-dimethylpiperazine-2,5-dione?
6-[(4-amino-1,3-oxazol-2-yl)methyl]-3,3-dimethylpiperazine-2,5-dione has a molecular weight of 238.25 g/mol, XLogP of -0.81, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-amino-1,3-oxazol-2-yl)methyl]-3,3-dimethylpiperazine-2,5-dione is sourced from PubChem (CID 146373999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).