2-methyl-5-(phenoxymethyl)-[1,2]oxazolo[2,3-a]pyrimidin-7-one

C14H12N2O3 — CID 45106294

IUPAC2-methyl-5-(phenoxymethyl)-[1,2]oxazolo[2,3-a]pyrimidin-7-one
SMILESCc1cc2nc(COc3ccccc3)cc(=O)n2o1
InChIInChI=1S/C14H12N2O3/c1-10-7-13-15-11(8-14(17)16(13)19-10)9-18-12-5-3-2-4-6-12/h2-8H,9H2,1H3
InChIKeyFJECHHDLPCHQDS-UHFFFAOYSA-N
MW256.26 g/mol
LogP2.17
Rot. Bonds3

About 2-methyl-5-(phenoxymethyl)-[1,2]oxazolo[2,3-a]pyrimidin-7-one

2-methyl-5-(phenoxymethyl)-[1,2]oxazolo[2,3-a]pyrimidin-7-one (PubChem CID 45106294) has the molecular formula C14H12N2O3 and a molecular weight of 256.26 g/mol. Its IUPAC name is 2-methyl-5-(phenoxymethyl)-[1,2]oxazolo[2,3-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-methyl-5-(phenoxymethyl)-[1,2]oxazolo[2,3-a]pyrimidin-7-one
PubChem CID45106294
Molecular FormulaC14H12N2O3
Molecular Weight256.26 g/mol
Exact Mass256.08
IUPAC Name2-methyl-5-(phenoxymethyl)-[1,2]oxazolo[2,3-a]pyrimidin-7-one
SMILESCc1cc2nc(COc3ccccc3)cc(=O)n2o1
InChIInChI=1S/C14H12N2O3/c1-10-7-13-15-11(8-14(17)16(13)19-10)9-18-12-5-3-2-4-6-12/h2-8H,9H2,1H3
InChIKeyFJECHHDLPCHQDS-UHFFFAOYSA-N
XLogP2.17
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(phenoxymethyl)-[1,2]oxazolo[2,3-a]pyrimidin-7-one?
The IUPAC name of 2-methyl-5-(phenoxymethyl)-[1,2]oxazolo[2,3-a]pyrimidin-7-one (CID 45106294) is 2-methyl-5-(phenoxymethyl)-[1,2]oxazolo[2,3-a]pyrimidin-7-one.
What is the SMILES notation for 2-methyl-5-(phenoxymethyl)-[1,2]oxazolo[2,3-a]pyrimidin-7-one?
The canonical SMILES for 2-methyl-5-(phenoxymethyl)-[1,2]oxazolo[2,3-a]pyrimidin-7-one is Cc1cc2nc(COc3ccccc3)cc(=O)n2o1.
What is the InChIKey of 2-methyl-5-(phenoxymethyl)-[1,2]oxazolo[2,3-a]pyrimidin-7-one?
The InChIKey is FJECHHDLPCHQDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O3/c1-10-7-13-15-11(8-14(17)16(13)19-10)9-18-12-5-3-2-4-6-12/h2-8H,9H2,1H3.
What are the key properties of 2-methyl-5-(phenoxymethyl)-[1,2]oxazolo[2,3-a]pyrimidin-7-one?
2-methyl-5-(phenoxymethyl)-[1,2]oxazolo[2,3-a]pyrimidin-7-one has a molecular weight of 256.26 g/mol, XLogP of 2.17, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(phenoxymethyl)-[1,2]oxazolo[2,3-a]pyrimidin-7-one is sourced from PubChem (CID 45106294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).