1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1,3-diazinane-2,4-dione

C10H13N3O3 — CID 77018848

IUPAC1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1,3-diazinane-2,4-dione
SMILESCc1nc(CN2CCC(=O)NC2=O)oc1C
InChIInChI=1S/C10H13N3O3/c1-6-7(2)16-9(11-6)5-13-4-3-8(14)12-10(13)15/h3-5H2,1-2H3,(H,12,14,15)
InChIKeyRDHVWYFYLQWJRS-UHFFFAOYSA-N
MW223.23 g/mol
LogP0.73
Rot. Bonds2

About 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1,3-diazinane-2,4-dione

1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1,3-diazinane-2,4-dione (PubChem CID 77018848) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1,3-diazinane-2,4-dione
PubChem CID77018848
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Name1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1,3-diazinane-2,4-dione
SMILESCc1nc(CN2CCC(=O)NC2=O)oc1C
InChIInChI=1S/C10H13N3O3/c1-6-7(2)16-9(11-6)5-13-4-3-8(14)12-10(13)15/h3-5H2,1-2H3,(H,12,14,15)
InChIKeyRDHVWYFYLQWJRS-UHFFFAOYSA-N
XLogP0.73
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1,3-diazinane-2,4-dione?
The IUPAC name of 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1,3-diazinane-2,4-dione (CID 77018848) is 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1,3-diazinane-2,4-dione is Cc1nc(CN2CCC(=O)NC2=O)oc1C.
What is the InChIKey of 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1,3-diazinane-2,4-dione?
The InChIKey is RDHVWYFYLQWJRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3/c1-6-7(2)16-9(11-6)5-13-4-3-8(14)12-10(13)15/h3-5H2,1-2H3,(H,12,14,15).
What are the key properties of 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1,3-diazinane-2,4-dione?
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1,3-diazinane-2,4-dione has a molecular weight of 223.23 g/mol, XLogP of 0.73, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 77018848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).