5-methyl-2-[4-(5-methyl-6-oxo-4,5-dihydro-1,3-oxazin-2-yl)phenyl]-4,5-dihydro-1,3-oxazin-6-one

C16H16N2O4 — CID 19881966

IUPAC5-methyl-2-[4-(5-methyl-6-oxo-4,5-dihydro-1,3-oxazin-2-yl)phenyl]-4,5-dihydro-1,3-oxazin-6-one
SMILESCC1CN=C(c2ccc(C3=NCC(C)C(=O)O3)cc2)OC1=O
InChIInChI=1S/C16H16N2O4/c1-9-7-17-13(21-15(9)19)11-3-5-12(6-4-11)14-18-8-10(2)16(20)22-14/h3-6,9-10H,7-8H2,1-2H3
InChIKeyMTJMIQLVUZTZQM-UHFFFAOYSA-N
MW300.31 g/mol
LogP1.57
Rot. Bonds2

About 5-methyl-2-[4-(5-methyl-6-oxo-4,5-dihydro-1,3-oxazin-2-yl)phenyl]-4,5-dihydro-1,3-oxazin-6-one

5-methyl-2-[4-(5-methyl-6-oxo-4,5-dihydro-1,3-oxazin-2-yl)phenyl]-4,5-dihydro-1,3-oxazin-6-one (PubChem CID 19881966) has the molecular formula C16H16N2O4 and a molecular weight of 300.31 g/mol. Its IUPAC name is 5-methyl-2-[4-(5-methyl-6-oxo-4,5-dihydro-1,3-oxazin-2-yl)phenyl]-4,5-dihydro-1,3-oxazin-6-one.

Molecular Properties

Compound Name5-methyl-2-[4-(5-methyl-6-oxo-4,5-dihydro-1,3-oxazin-2-yl)phenyl]-4,5-dihydro-1,3-oxazin-6-one
PubChem CID19881966
Molecular FormulaC16H16N2O4
Molecular Weight300.31 g/mol
Exact Mass300.11
IUPAC Name5-methyl-2-[4-(5-methyl-6-oxo-4,5-dihydro-1,3-oxazin-2-yl)phenyl]-4,5-dihydro-1,3-oxazin-6-one
SMILESCC1CN=C(c2ccc(C3=NCC(C)C(=O)O3)cc2)OC1=O
InChIInChI=1S/C16H16N2O4/c1-9-7-17-13(21-15(9)19)11-3-5-12(6-4-11)14-18-8-10(2)16(20)22-14/h3-6,9-10H,7-8H2,1-2H3
InChIKeyMTJMIQLVUZTZQM-UHFFFAOYSA-N
XLogP1.57
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[4-(5-methyl-6-oxo-4,5-dihydro-1,3-oxazin-2-yl)phenyl]-4,5-dihydro-1,3-oxazin-6-one?
The IUPAC name of 5-methyl-2-[4-(5-methyl-6-oxo-4,5-dihydro-1,3-oxazin-2-yl)phenyl]-4,5-dihydro-1,3-oxazin-6-one (CID 19881966) is 5-methyl-2-[4-(5-methyl-6-oxo-4,5-dihydro-1,3-oxazin-2-yl)phenyl]-4,5-dihydro-1,3-oxazin-6-one.
What is the SMILES notation for 5-methyl-2-[4-(5-methyl-6-oxo-4,5-dihydro-1,3-oxazin-2-yl)phenyl]-4,5-dihydro-1,3-oxazin-6-one?
The canonical SMILES for 5-methyl-2-[4-(5-methyl-6-oxo-4,5-dihydro-1,3-oxazin-2-yl)phenyl]-4,5-dihydro-1,3-oxazin-6-one is CC1CN=C(c2ccc(C3=NCC(C)C(=O)O3)cc2)OC1=O.
What is the InChIKey of 5-methyl-2-[4-(5-methyl-6-oxo-4,5-dihydro-1,3-oxazin-2-yl)phenyl]-4,5-dihydro-1,3-oxazin-6-one?
The InChIKey is MTJMIQLVUZTZQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4/c1-9-7-17-13(21-15(9)19)11-3-5-12(6-4-11)14-18-8-10(2)16(20)22-14/h3-6,9-10H,7-8H2,1-2H3.
What are the key properties of 5-methyl-2-[4-(5-methyl-6-oxo-4,5-dihydro-1,3-oxazin-2-yl)phenyl]-4,5-dihydro-1,3-oxazin-6-one?
5-methyl-2-[4-(5-methyl-6-oxo-4,5-dihydro-1,3-oxazin-2-yl)phenyl]-4,5-dihydro-1,3-oxazin-6-one has a molecular weight of 300.31 g/mol, XLogP of 1.57, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[4-(5-methyl-6-oxo-4,5-dihydro-1,3-oxazin-2-yl)phenyl]-4,5-dihydro-1,3-oxazin-6-one is sourced from PubChem (CID 19881966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).