2-[(3,4-dimethoxyphenoxy)methyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one

C15H16N2O5 — CID 25072687

IUPAC2-[(3,4-dimethoxyphenoxy)methyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one
SMILESCOc1ccc(OCC2Cn3ccc(=O)nc3O2)cc1OC
InChIInChI=1S/C15H16N2O5/c1-19-12-4-3-10(7-13(12)20-2)21-9-11-8-17-6-5-14(18)16-15(17)22-11/h3-7,11H,8-9H2,1-2H3
InChIKeyPCFGVWAZHHKNBX-UHFFFAOYSA-N
MW304.30 g/mol
LogP1.10
Rot. Bonds5

About 2-[(3,4-dimethoxyphenoxy)methyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one

2-[(3,4-dimethoxyphenoxy)methyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one (PubChem CID 25072687) has the molecular formula C15H16N2O5 and a molecular weight of 304.30 g/mol. Its IUPAC name is 2-[(3,4-dimethoxyphenoxy)methyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-[(3,4-dimethoxyphenoxy)methyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one
PubChem CID25072687
Molecular FormulaC15H16N2O5
Molecular Weight304.30 g/mol
Exact Mass304.11
IUPAC Name2-[(3,4-dimethoxyphenoxy)methyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one
SMILESCOc1ccc(OCC2Cn3ccc(=O)nc3O2)cc1OC
InChIInChI=1S/C15H16N2O5/c1-19-12-4-3-10(7-13(12)20-2)21-9-11-8-17-6-5-14(18)16-15(17)22-11/h3-7,11H,8-9H2,1-2H3
InChIKeyPCFGVWAZHHKNBX-UHFFFAOYSA-N
XLogP1.10
TPSA71.81 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dimethoxyphenoxy)methyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one?
The IUPAC name of 2-[(3,4-dimethoxyphenoxy)methyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one (CID 25072687) is 2-[(3,4-dimethoxyphenoxy)methyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one.
What is the SMILES notation for 2-[(3,4-dimethoxyphenoxy)methyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one?
The canonical SMILES for 2-[(3,4-dimethoxyphenoxy)methyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one is COc1ccc(OCC2Cn3ccc(=O)nc3O2)cc1OC.
What is the InChIKey of 2-[(3,4-dimethoxyphenoxy)methyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one?
The InChIKey is PCFGVWAZHHKNBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O5/c1-19-12-4-3-10(7-13(12)20-2)21-9-11-8-17-6-5-14(18)16-15(17)22-11/h3-7,11H,8-9H2,1-2H3.
What are the key properties of 2-[(3,4-dimethoxyphenoxy)methyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one?
2-[(3,4-dimethoxyphenoxy)methyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one has a molecular weight of 304.30 g/mol, XLogP of 1.10, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dimethoxyphenoxy)methyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one is sourced from PubChem (CID 25072687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).