3-(1,2,4-oxadiazol-3-ylmethyl)-1-propylpyrimidine-2,4-dione

C10H12N4O3 — CID 63810446

IUPAC3-(1,2,4-oxadiazol-3-ylmethyl)-1-propylpyrimidine-2,4-dione
SMILESCCCn1ccc(=O)n(Cc2ncon2)c1=O
InChIInChI=1S/C10H12N4O3/c1-2-4-13-5-3-9(15)14(10(13)16)6-8-11-7-17-12-8/h3,5,7H,2,4,6H2,1H3
InChIKeyFZXKBBMQYVNTHU-UHFFFAOYSA-N
MW236.23 g/mol
LogP-0.15
Rot. Bonds4

About 3-(1,2,4-oxadiazol-3-ylmethyl)-1-propylpyrimidine-2,4-dione

3-(1,2,4-oxadiazol-3-ylmethyl)-1-propylpyrimidine-2,4-dione (PubChem CID 63810446) has the molecular formula C10H12N4O3 and a molecular weight of 236.23 g/mol. Its IUPAC name is 3-(1,2,4-oxadiazol-3-ylmethyl)-1-propylpyrimidine-2,4-dione.

Molecular Properties

Compound Name3-(1,2,4-oxadiazol-3-ylmethyl)-1-propylpyrimidine-2,4-dione
PubChem CID63810446
Molecular FormulaC10H12N4O3
Molecular Weight236.23 g/mol
Exact Mass236.09
IUPAC Name3-(1,2,4-oxadiazol-3-ylmethyl)-1-propylpyrimidine-2,4-dione
SMILESCCCn1ccc(=O)n(Cc2ncon2)c1=O
InChIInChI=1S/C10H12N4O3/c1-2-4-13-5-3-9(15)14(10(13)16)6-8-11-7-17-12-8/h3,5,7H,2,4,6H2,1H3
InChIKeyFZXKBBMQYVNTHU-UHFFFAOYSA-N
XLogP-0.15
TPSA82.92 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 5-0.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-(1,2,4-oxadiazol-3-ylmethyl)-1-propylpyrimidine-2,4-dione 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-(1,2,4-oxadiazol-3-ylmethyl)-1-propylpyrimidine-2,4-dione?
The IUPAC name of 3-(1,2,4-oxadiazol-3-ylmethyl)-1-propylpyrimidine-2,4-dione (CID 63810446) is 3-(1,2,4-oxadiazol-3-ylmethyl)-1-propylpyrimidine-2,4-dione.
What is the SMILES notation for 3-(1,2,4-oxadiazol-3-ylmethyl)-1-propylpyrimidine-2,4-dione?
The canonical SMILES for 3-(1,2,4-oxadiazol-3-ylmethyl)-1-propylpyrimidine-2,4-dione is CCCn1ccc(=O)n(Cc2ncon2)c1=O.
What is the InChIKey of 3-(1,2,4-oxadiazol-3-ylmethyl)-1-propylpyrimidine-2,4-dione?
The InChIKey is FZXKBBMQYVNTHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O3/c1-2-4-13-5-3-9(15)14(10(13)16)6-8-11-7-17-12-8/h3,5,7H,2,4,6H2,1H3.
What are the key properties of 3-(1,2,4-oxadiazol-3-ylmethyl)-1-propylpyrimidine-2,4-dione?
3-(1,2,4-oxadiazol-3-ylmethyl)-1-propylpyrimidine-2,4-dione has a molecular weight of 236.23 g/mol, XLogP of -0.15, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2,4-oxadiazol-3-ylmethyl)-1-propylpyrimidine-2,4-dione is sourced from PubChem (CID 63810446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).