5-methyl-1-(1,2-oxazol-3-ylmethyl)-1,3-diazinane-2,4-dione

C9H11N3O3 — CID 81173664

IUPAC5-methyl-1-(1,2-oxazol-3-ylmethyl)-1,3-diazinane-2,4-dione
SMILESCC1CN(Cc2ccon2)C(=O)NC1=O
InChIInChI=1S/C9H11N3O3/c1-6-4-12(9(14)10-8(6)13)5-7-2-3-15-11-7/h2-3,6H,4-5H2,1H3,(H,10,13,14)
InChIKeyZXUNHFYFTKQOOK-UHFFFAOYSA-N
MW209.20 g/mol
LogP0.36
Rot. Bonds2

About 5-methyl-1-(1,2-oxazol-3-ylmethyl)-1,3-diazinane-2,4-dione

5-methyl-1-(1,2-oxazol-3-ylmethyl)-1,3-diazinane-2,4-dione (PubChem CID 81173664) has the molecular formula C9H11N3O3 and a molecular weight of 209.20 g/mol. Its IUPAC name is 5-methyl-1-(1,2-oxazol-3-ylmethyl)-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name5-methyl-1-(1,2-oxazol-3-ylmethyl)-1,3-diazinane-2,4-dione
PubChem CID81173664
Molecular FormulaC9H11N3O3
Molecular Weight209.20 g/mol
Exact Mass209.08
IUPAC Name5-methyl-1-(1,2-oxazol-3-ylmethyl)-1,3-diazinane-2,4-dione
SMILESCC1CN(Cc2ccon2)C(=O)NC1=O
InChIInChI=1S/C9H11N3O3/c1-6-4-12(9(14)10-8(6)13)5-7-2-3-15-11-7/h2-3,6H,4-5H2,1H3,(H,10,13,14)
InChIKeyZXUNHFYFTKQOOK-UHFFFAOYSA-N
XLogP0.36
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(1,2-oxazol-3-ylmethyl)-1,3-diazinane-2,4-dione?
The IUPAC name of 5-methyl-1-(1,2-oxazol-3-ylmethyl)-1,3-diazinane-2,4-dione (CID 81173664) is 5-methyl-1-(1,2-oxazol-3-ylmethyl)-1,3-diazinane-2,4-dione.
What is the SMILES notation for 5-methyl-1-(1,2-oxazol-3-ylmethyl)-1,3-diazinane-2,4-dione?
The canonical SMILES for 5-methyl-1-(1,2-oxazol-3-ylmethyl)-1,3-diazinane-2,4-dione is CC1CN(Cc2ccon2)C(=O)NC1=O.
What is the InChIKey of 5-methyl-1-(1,2-oxazol-3-ylmethyl)-1,3-diazinane-2,4-dione?
The InChIKey is ZXUNHFYFTKQOOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O3/c1-6-4-12(9(14)10-8(6)13)5-7-2-3-15-11-7/h2-3,6H,4-5H2,1H3,(H,10,13,14).
What are the key properties of 5-methyl-1-(1,2-oxazol-3-ylmethyl)-1,3-diazinane-2,4-dione?
5-methyl-1-(1,2-oxazol-3-ylmethyl)-1,3-diazinane-2,4-dione has a molecular weight of 209.20 g/mol, XLogP of 0.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(1,2-oxazol-3-ylmethyl)-1,3-diazinane-2,4-dione is sourced from PubChem (CID 81173664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).