1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-fluoro-1,3-diazinane-2,4,6-trione

C10H10FN3O4 — CID 114180984

IUPAC1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-fluoro-1,3-diazinane-2,4,6-trione
SMILESCc1nc(CN2C(=O)NC(=O)C(F)C2=O)oc1C
InChIInChI=1S/C10H10FN3O4/c1-4-5(2)18-6(12-4)3-14-9(16)7(11)8(15)13-10(14)17/h7H,3H2,1-2H3,(H,13,15,17)
InChIKeyLZMVXEZHNPWTFS-UHFFFAOYSA-N
MW255.20 g/mol
LogP0.21
Rot. Bonds2

About 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-fluoro-1,3-diazinane-2,4,6-trione

1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-fluoro-1,3-diazinane-2,4,6-trione (PubChem CID 114180984) has the molecular formula C10H10FN3O4 and a molecular weight of 255.20 g/mol. Its IUPAC name is 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-fluoro-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-fluoro-1,3-diazinane-2,4,6-trione
PubChem CID114180984
Molecular FormulaC10H10FN3O4
Molecular Weight255.20 g/mol
Exact Mass255.07
IUPAC Name1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-fluoro-1,3-diazinane-2,4,6-trione
SMILESCc1nc(CN2C(=O)NC(=O)C(F)C2=O)oc1C
InChIInChI=1S/C10H10FN3O4/c1-4-5(2)18-6(12-4)3-14-9(16)7(11)8(15)13-10(14)17/h7H,3H2,1-2H3,(H,13,15,17)
InChIKeyLZMVXEZHNPWTFS-UHFFFAOYSA-N
XLogP0.21
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.20
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-fluoro-1,3-diazinane-2,4,6-trione?
The IUPAC name of 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-fluoro-1,3-diazinane-2,4,6-trione (CID 114180984) is 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-fluoro-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-fluoro-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-fluoro-1,3-diazinane-2,4,6-trione is Cc1nc(CN2C(=O)NC(=O)C(F)C2=O)oc1C.
What is the InChIKey of 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-fluoro-1,3-diazinane-2,4,6-trione?
The InChIKey is LZMVXEZHNPWTFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3O4/c1-4-5(2)18-6(12-4)3-14-9(16)7(11)8(15)13-10(14)17/h7H,3H2,1-2H3,(H,13,15,17).
What are the key properties of 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-fluoro-1,3-diazinane-2,4,6-trione?
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-fluoro-1,3-diazinane-2,4,6-trione has a molecular weight of 255.20 g/mol, XLogP of 0.21, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-fluoro-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 114180984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).