2-[5-(2-fluorophenyl)-6-methyl-4-oxo-2H-1,3-oxazin-3-yl]-2-methylpropanal

C15H16FNO3 — CID 18795479

IUPAC2-[5-(2-fluorophenyl)-6-methyl-4-oxo-2H-1,3-oxazin-3-yl]-2-methylpropanal
SMILESCC1=C(c2ccccc2F)C(=O)N(C(C)(C)C=O)CO1
InChIInChI=1S/C15H16FNO3/c1-10-13(11-6-4-5-7-12(11)16)14(19)17(9-20-10)15(2,3)8-18/h4-8H,9H2,1-3H3
InChIKeyHWGGUGVVCNPBIS-UHFFFAOYSA-N
MW277.30 g/mol
LogP2.35
Rot. Bonds3

About 2-[5-(2-fluorophenyl)-6-methyl-4-oxo-2H-1,3-oxazin-3-yl]-2-methylpropanal

2-[5-(2-fluorophenyl)-6-methyl-4-oxo-2H-1,3-oxazin-3-yl]-2-methylpropanal (PubChem CID 18795479) has the molecular formula C15H16FNO3 and a molecular weight of 277.30 g/mol. Its IUPAC name is 2-[5-(2-fluorophenyl)-6-methyl-4-oxo-2H-1,3-oxazin-3-yl]-2-methylpropanal.

Molecular Properties

Compound Name2-[5-(2-fluorophenyl)-6-methyl-4-oxo-2H-1,3-oxazin-3-yl]-2-methylpropanal
PubChem CID18795479
Molecular FormulaC15H16FNO3
Molecular Weight277.30 g/mol
Exact Mass277.11
IUPAC Name2-[5-(2-fluorophenyl)-6-methyl-4-oxo-2H-1,3-oxazin-3-yl]-2-methylpropanal
SMILESCC1=C(c2ccccc2F)C(=O)N(C(C)(C)C=O)CO1
InChIInChI=1S/C15H16FNO3/c1-10-13(11-6-4-5-7-12(11)16)14(19)17(9-20-10)15(2,3)8-18/h4-8H,9H2,1-3H3
InChIKeyHWGGUGVVCNPBIS-UHFFFAOYSA-N
XLogP2.35
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-fluorophenyl)-6-methyl-4-oxo-2H-1,3-oxazin-3-yl]-2-methylpropanal?
The IUPAC name of 2-[5-(2-fluorophenyl)-6-methyl-4-oxo-2H-1,3-oxazin-3-yl]-2-methylpropanal (CID 18795479) is 2-[5-(2-fluorophenyl)-6-methyl-4-oxo-2H-1,3-oxazin-3-yl]-2-methylpropanal.
What is the SMILES notation for 2-[5-(2-fluorophenyl)-6-methyl-4-oxo-2H-1,3-oxazin-3-yl]-2-methylpropanal?
The canonical SMILES for 2-[5-(2-fluorophenyl)-6-methyl-4-oxo-2H-1,3-oxazin-3-yl]-2-methylpropanal is CC1=C(c2ccccc2F)C(=O)N(C(C)(C)C=O)CO1.
What is the InChIKey of 2-[5-(2-fluorophenyl)-6-methyl-4-oxo-2H-1,3-oxazin-3-yl]-2-methylpropanal?
The InChIKey is HWGGUGVVCNPBIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO3/c1-10-13(11-6-4-5-7-12(11)16)14(19)17(9-20-10)15(2,3)8-18/h4-8H,9H2,1-3H3.
What are the key properties of 2-[5-(2-fluorophenyl)-6-methyl-4-oxo-2H-1,3-oxazin-3-yl]-2-methylpropanal?
2-[5-(2-fluorophenyl)-6-methyl-4-oxo-2H-1,3-oxazin-3-yl]-2-methylpropanal has a molecular weight of 277.30 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-fluorophenyl)-6-methyl-4-oxo-2H-1,3-oxazin-3-yl]-2-methylpropanal is sourced from PubChem (CID 18795479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).