3-[[4-(1,3-oxazol-5-yl)phenyl]methyl]pyrimidin-4-one

C14H11N3O2 — CID 166530336

IUPAC3-[[4-(1,3-oxazol-5-yl)phenyl]methyl]pyrimidin-4-one
SMILESO=c1ccncn1Cc1ccc(-c2cnco2)cc1
InChIInChI=1S/C14H11N3O2/c18-14-5-6-15-9-17(14)8-11-1-3-12(4-2-11)13-7-16-10-19-13/h1-7,9-10H,8H2
InChIKeyYYSJTRNQDYEVIJ-UHFFFAOYSA-N
MW253.26 g/mol
LogP1.95
Rot. Bonds3

About 3-[[4-(1,3-oxazol-5-yl)phenyl]methyl]pyrimidin-4-one

3-[[4-(1,3-oxazol-5-yl)phenyl]methyl]pyrimidin-4-one (PubChem CID 166530336) has the molecular formula C14H11N3O2 and a molecular weight of 253.26 g/mol. Its IUPAC name is 3-[[4-(1,3-oxazol-5-yl)phenyl]methyl]pyrimidin-4-one.

Molecular Properties

Compound Name3-[[4-(1,3-oxazol-5-yl)phenyl]methyl]pyrimidin-4-one
PubChem CID166530336
Molecular FormulaC14H11N3O2
Molecular Weight253.26 g/mol
Exact Mass253.09
IUPAC Name3-[[4-(1,3-oxazol-5-yl)phenyl]methyl]pyrimidin-4-one
SMILESO=c1ccncn1Cc1ccc(-c2cnco2)cc1
InChIInChI=1S/C14H11N3O2/c18-14-5-6-15-9-17(14)8-11-1-3-12(4-2-11)13-7-16-10-19-13/h1-7,9-10H,8H2
InChIKeyYYSJTRNQDYEVIJ-UHFFFAOYSA-N
XLogP1.95
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[[4-(1,3-oxazol-5-yl)phenyl]methyl]pyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(1,3-oxazol-5-yl)phenyl]methyl]pyrimidin-4-one?
The IUPAC name of 3-[[4-(1,3-oxazol-5-yl)phenyl]methyl]pyrimidin-4-one (CID 166530336) is 3-[[4-(1,3-oxazol-5-yl)phenyl]methyl]pyrimidin-4-one.
What is the SMILES notation for 3-[[4-(1,3-oxazol-5-yl)phenyl]methyl]pyrimidin-4-one?
The canonical SMILES for 3-[[4-(1,3-oxazol-5-yl)phenyl]methyl]pyrimidin-4-one is O=c1ccncn1Cc1ccc(-c2cnco2)cc1.
What is the InChIKey of 3-[[4-(1,3-oxazol-5-yl)phenyl]methyl]pyrimidin-4-one?
The InChIKey is YYSJTRNQDYEVIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2/c18-14-5-6-15-9-17(14)8-11-1-3-12(4-2-11)13-7-16-10-19-13/h1-7,9-10H,8H2.
What are the key properties of 3-[[4-(1,3-oxazol-5-yl)phenyl]methyl]pyrimidin-4-one?
3-[[4-(1,3-oxazol-5-yl)phenyl]methyl]pyrimidin-4-one has a molecular weight of 253.26 g/mol, XLogP of 1.95, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(1,3-oxazol-5-yl)phenyl]methyl]pyrimidin-4-one is sourced from PubChem (CID 166530336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).