3-(1,2-oxazol-5-ylmethyl)-1-propylpyrimidine-2,4-dione

C11H13N3O3 — CID 63810454

IUPAC3-(1,2-oxazol-5-ylmethyl)-1-propylpyrimidine-2,4-dione
SMILESCCCn1ccc(=O)n(Cc2ccno2)c1=O
InChIInChI=1S/C11H13N3O3/c1-2-6-13-7-4-10(15)14(11(13)16)8-9-3-5-12-17-9/h3-5,7H,2,6,8H2,1H3
InChIKeyIORMFDZPEDSZSM-UHFFFAOYSA-N
MW235.24 g/mol
LogP0.46
Rot. Bonds4

About 3-(1,2-oxazol-5-ylmethyl)-1-propylpyrimidine-2,4-dione

3-(1,2-oxazol-5-ylmethyl)-1-propylpyrimidine-2,4-dione (PubChem CID 63810454) has the molecular formula C11H13N3O3 and a molecular weight of 235.24 g/mol. Its IUPAC name is 3-(1,2-oxazol-5-ylmethyl)-1-propylpyrimidine-2,4-dione.

Molecular Properties

Compound Name3-(1,2-oxazol-5-ylmethyl)-1-propylpyrimidine-2,4-dione
PubChem CID63810454
Molecular FormulaC11H13N3O3
Molecular Weight235.24 g/mol
Exact Mass235.10
IUPAC Name3-(1,2-oxazol-5-ylmethyl)-1-propylpyrimidine-2,4-dione
SMILESCCCn1ccc(=O)n(Cc2ccno2)c1=O
InChIInChI=1S/C11H13N3O3/c1-2-6-13-7-4-10(15)14(11(13)16)8-9-3-5-12-17-9/h3-5,7H,2,6,8H2,1H3
InChIKeyIORMFDZPEDSZSM-UHFFFAOYSA-N
XLogP0.46
TPSA70.03 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(1,2-oxazol-5-ylmethyl)-1-propylpyrimidine-2,4-dione?
The IUPAC name of 3-(1,2-oxazol-5-ylmethyl)-1-propylpyrimidine-2,4-dione (CID 63810454) is 3-(1,2-oxazol-5-ylmethyl)-1-propylpyrimidine-2,4-dione.
What is the SMILES notation for 3-(1,2-oxazol-5-ylmethyl)-1-propylpyrimidine-2,4-dione?
The canonical SMILES for 3-(1,2-oxazol-5-ylmethyl)-1-propylpyrimidine-2,4-dione is CCCn1ccc(=O)n(Cc2ccno2)c1=O.
What is the InChIKey of 3-(1,2-oxazol-5-ylmethyl)-1-propylpyrimidine-2,4-dione?
The InChIKey is IORMFDZPEDSZSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3/c1-2-6-13-7-4-10(15)14(11(13)16)8-9-3-5-12-17-9/h3-5,7H,2,6,8H2,1H3.
What are the key properties of 3-(1,2-oxazol-5-ylmethyl)-1-propylpyrimidine-2,4-dione?
3-(1,2-oxazol-5-ylmethyl)-1-propylpyrimidine-2,4-dione has a molecular weight of 235.24 g/mol, XLogP of 0.46, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2-oxazol-5-ylmethyl)-1-propylpyrimidine-2,4-dione is sourced from PubChem (CID 63810454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).