4-(naphthalen-1-ylmethyl)-3-pyrimidin-2-yl-1,2,4-oxadiazol-5-one

C17H12N4O2 — CID 51106485

IUPAC4-(naphthalen-1-ylmethyl)-3-pyrimidin-2-yl-1,2,4-oxadiazol-5-one
SMILESO=c1onc(-c2ncccn2)n1Cc1cccc2ccccc12
InChIInChI=1S/C17H12N4O2/c22-17-21(16(20-23-17)15-18-9-4-10-19-15)11-13-7-3-6-12-5-1-2-8-14(12)13/h1-10H,11H2
InChIKeyZSZOUTAQFMCDMZ-UHFFFAOYSA-N
MW304.31 g/mol
LogP2.49
Rot. Bonds3

About 4-(naphthalen-1-ylmethyl)-3-pyrimidin-2-yl-1,2,4-oxadiazol-5-one

4-(naphthalen-1-ylmethyl)-3-pyrimidin-2-yl-1,2,4-oxadiazol-5-one (PubChem CID 51106485) has the molecular formula C17H12N4O2 and a molecular weight of 304.31 g/mol. Its IUPAC name is 4-(naphthalen-1-ylmethyl)-3-pyrimidin-2-yl-1,2,4-oxadiazol-5-one.

Molecular Properties

Compound Name4-(naphthalen-1-ylmethyl)-3-pyrimidin-2-yl-1,2,4-oxadiazol-5-one
PubChem CID51106485
Molecular FormulaC17H12N4O2
Molecular Weight304.31 g/mol
Exact Mass304.10
IUPAC Name4-(naphthalen-1-ylmethyl)-3-pyrimidin-2-yl-1,2,4-oxadiazol-5-one
SMILESO=c1onc(-c2ncccn2)n1Cc1cccc2ccccc12
InChIInChI=1S/C17H12N4O2/c22-17-21(16(20-23-17)15-18-9-4-10-19-15)11-13-7-3-6-12-5-1-2-8-14(12)13/h1-10H,11H2
InChIKeyZSZOUTAQFMCDMZ-UHFFFAOYSA-N
XLogP2.49
TPSA73.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-(naphthalen-1-ylmethyl)-3-pyrimidin-2-yl-1,2,4-oxadiazol-5-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 4-(naphthalen-1-ylmethyl)-3-pyrimidin-2-yl-1,2,4-oxadiazol-5-one?
The IUPAC name of 4-(naphthalen-1-ylmethyl)-3-pyrimidin-2-yl-1,2,4-oxadiazol-5-one (CID 51106485) is 4-(naphthalen-1-ylmethyl)-3-pyrimidin-2-yl-1,2,4-oxadiazol-5-one.
What is the SMILES notation for 4-(naphthalen-1-ylmethyl)-3-pyrimidin-2-yl-1,2,4-oxadiazol-5-one?
The canonical SMILES for 4-(naphthalen-1-ylmethyl)-3-pyrimidin-2-yl-1,2,4-oxadiazol-5-one is O=c1onc(-c2ncccn2)n1Cc1cccc2ccccc12.
What is the InChIKey of 4-(naphthalen-1-ylmethyl)-3-pyrimidin-2-yl-1,2,4-oxadiazol-5-one?
The InChIKey is ZSZOUTAQFMCDMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4O2/c22-17-21(16(20-23-17)15-18-9-4-10-19-15)11-13-7-3-6-12-5-1-2-8-14(12)13/h1-10H,11H2.
What are the key properties of 4-(naphthalen-1-ylmethyl)-3-pyrimidin-2-yl-1,2,4-oxadiazol-5-one?
4-(naphthalen-1-ylmethyl)-3-pyrimidin-2-yl-1,2,4-oxadiazol-5-one has a molecular weight of 304.31 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(naphthalen-1-ylmethyl)-3-pyrimidin-2-yl-1,2,4-oxadiazol-5-one is sourced from PubChem (CID 51106485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).