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

C11H15N3O3 — CID 76905821

IUPAC1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-methyl-1,3-diazinane-2,4-dione
SMILESCc1nc(CN2CC(C)C(=O)NC2=O)oc1C
InChIInChI=1S/C11H15N3O3/c1-6-4-14(11(16)13-10(6)15)5-9-12-7(2)8(3)17-9/h6H,4-5H2,1-3H3,(H,13,15,16)
InChIKeyHBVSRDHOWVVCHS-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.98
Rot. Bonds2

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

1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-methyl-1,3-diazinane-2,4-dione (PubChem CID 76905821) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-methyl-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-methyl-1,3-diazinane-2,4-dione
PubChem CID76905821
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-methyl-1,3-diazinane-2,4-dione
SMILESCc1nc(CN2CC(C)C(=O)NC2=O)oc1C
InChIInChI=1S/C11H15N3O3/c1-6-4-14(11(16)13-10(6)15)5-9-12-7(2)8(3)17-9/h6H,4-5H2,1-3H3,(H,13,15,16)
InChIKeyHBVSRDHOWVVCHS-UHFFFAOYSA-N
XLogP0.98
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.98
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]-5-methyl-1,3-diazinane-2,4-dione?
The IUPAC name of 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-methyl-1,3-diazinane-2,4-dione (CID 76905821) is 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-methyl-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-methyl-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-methyl-1,3-diazinane-2,4-dione is Cc1nc(CN2CC(C)C(=O)NC2=O)oc1C.
What is the InChIKey of 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-methyl-1,3-diazinane-2,4-dione?
The InChIKey is HBVSRDHOWVVCHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-6-4-14(11(16)13-10(6)15)5-9-12-7(2)8(3)17-9/h6H,4-5H2,1-3H3,(H,13,15,16).
What are the key properties of 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-methyl-1,3-diazinane-2,4-dione?
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-methyl-1,3-diazinane-2,4-dione has a molecular weight of 237.26 g/mol, XLogP of 0.98, 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]-5-methyl-1,3-diazinane-2,4-dione is sourced from PubChem (CID 76905821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).