2-(2-oxopyrimidin-1-yl)-N-[(3-propyl-1,2-oxazol-5-yl)methyl]acetamide

C13H16N4O3 — CID 95849454

IUPAC2-(2-oxopyrimidin-1-yl)-N-[(3-propyl-1,2-oxazol-5-yl)methyl]acetamide
SMILESCCCc1cc(CNC(=O)Cn2cccnc2=O)on1
InChIInChI=1S/C13H16N4O3/c1-2-4-10-7-11(20-16-10)8-15-12(18)9-17-6-3-5-14-13(17)19/h3,5-7H,2,4,8-9H2,1H3,(H,15,18)
InChIKeyOHABCRVEHLLWLF-UHFFFAOYSA-N
MW276.30 g/mol
LogP0.50
Rot. Bonds6

About 2-(2-oxopyrimidin-1-yl)-N-[(3-propyl-1,2-oxazol-5-yl)methyl]acetamide

2-(2-oxopyrimidin-1-yl)-N-[(3-propyl-1,2-oxazol-5-yl)methyl]acetamide (PubChem CID 95849454) has the molecular formula C13H16N4O3 and a molecular weight of 276.30 g/mol. Its IUPAC name is 2-(2-oxopyrimidin-1-yl)-N-[(3-propyl-1,2-oxazol-5-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-oxopyrimidin-1-yl)-N-[(3-propyl-1,2-oxazol-5-yl)methyl]acetamide
PubChem CID95849454
Molecular FormulaC13H16N4O3
Molecular Weight276.30 g/mol
Exact Mass276.12
IUPAC Name2-(2-oxopyrimidin-1-yl)-N-[(3-propyl-1,2-oxazol-5-yl)methyl]acetamide
SMILESCCCc1cc(CNC(=O)Cn2cccnc2=O)on1
InChIInChI=1S/C13H16N4O3/c1-2-4-10-7-11(20-16-10)8-15-12(18)9-17-6-3-5-14-13(17)19/h3,5-7H,2,4,8-9H2,1H3,(H,15,18)
InChIKeyOHABCRVEHLLWLF-UHFFFAOYSA-N
XLogP0.50
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(2-oxopyrimidin-1-yl)-N-[(3-propyl-1,2-oxazol-5-yl)methyl]acetamide 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 2-(2-oxopyrimidin-1-yl)-N-[(3-propyl-1,2-oxazol-5-yl)methyl]acetamide?
The IUPAC name of 2-(2-oxopyrimidin-1-yl)-N-[(3-propyl-1,2-oxazol-5-yl)methyl]acetamide (CID 95849454) is 2-(2-oxopyrimidin-1-yl)-N-[(3-propyl-1,2-oxazol-5-yl)methyl]acetamide.
What is the SMILES notation for 2-(2-oxopyrimidin-1-yl)-N-[(3-propyl-1,2-oxazol-5-yl)methyl]acetamide?
The canonical SMILES for 2-(2-oxopyrimidin-1-yl)-N-[(3-propyl-1,2-oxazol-5-yl)methyl]acetamide is CCCc1cc(CNC(=O)Cn2cccnc2=O)on1.
What is the InChIKey of 2-(2-oxopyrimidin-1-yl)-N-[(3-propyl-1,2-oxazol-5-yl)methyl]acetamide?
The InChIKey is OHABCRVEHLLWLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3/c1-2-4-10-7-11(20-16-10)8-15-12(18)9-17-6-3-5-14-13(17)19/h3,5-7H,2,4,8-9H2,1H3,(H,15,18).
What are the key properties of 2-(2-oxopyrimidin-1-yl)-N-[(3-propyl-1,2-oxazol-5-yl)methyl]acetamide?
2-(2-oxopyrimidin-1-yl)-N-[(3-propyl-1,2-oxazol-5-yl)methyl]acetamide has a molecular weight of 276.30 g/mol, XLogP of 0.50, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxopyrimidin-1-yl)-N-[(3-propyl-1,2-oxazol-5-yl)methyl]acetamide is sourced from PubChem (CID 95849454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).