1-(1-methylcyclopropyl)-4-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]pyrazine-2,3-dione

C17H16N4O3 — CID 166103428

IUPAC1-(1-methylcyclopropyl)-4-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]pyrazine-2,3-dione
SMILESCC1(n2ccn(Cc3cc(-c4cccnc4)no3)c(=O)c2=O)CC1
InChIInChI=1S/C17H16N4O3/c1-17(4-5-17)21-8-7-20(15(22)16(21)23)11-13-9-14(19-24-13)12-3-2-6-18-10-12/h2-3,6-10H,4-5,11H2,1H3
InChIKeyOFTSGHLXSWSRJT-UHFFFAOYSA-N
MW324.34 g/mol
LogP1.62
Rot. Bonds4

About 1-(1-methylcyclopropyl)-4-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]pyrazine-2,3-dione

1-(1-methylcyclopropyl)-4-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]pyrazine-2,3-dione (PubChem CID 166103428) has the molecular formula C17H16N4O3 and a molecular weight of 324.34 g/mol. Its IUPAC name is 1-(1-methylcyclopropyl)-4-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]pyrazine-2,3-dione.

Molecular Properties

Compound Name1-(1-methylcyclopropyl)-4-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]pyrazine-2,3-dione
PubChem CID166103428
Molecular FormulaC17H16N4O3
Molecular Weight324.34 g/mol
Exact Mass324.12
IUPAC Name1-(1-methylcyclopropyl)-4-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]pyrazine-2,3-dione
SMILESCC1(n2ccn(Cc3cc(-c4cccnc4)no3)c(=O)c2=O)CC1
InChIInChI=1S/C17H16N4O3/c1-17(4-5-17)21-8-7-20(15(22)16(21)23)11-13-9-14(19-24-13)12-3-2-6-18-10-12/h2-3,6-10H,4-5,11H2,1H3
InChIKeyOFTSGHLXSWSRJT-UHFFFAOYSA-N
XLogP1.62
TPSA82.92 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 1-(1-methylcyclopropyl)-4-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]pyrazine-2,3-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 1-(1-methylcyclopropyl)-4-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]pyrazine-2,3-dione?
The IUPAC name of 1-(1-methylcyclopropyl)-4-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]pyrazine-2,3-dione (CID 166103428) is 1-(1-methylcyclopropyl)-4-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]pyrazine-2,3-dione.
What is the SMILES notation for 1-(1-methylcyclopropyl)-4-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]pyrazine-2,3-dione?
The canonical SMILES for 1-(1-methylcyclopropyl)-4-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]pyrazine-2,3-dione is CC1(n2ccn(Cc3cc(-c4cccnc4)no3)c(=O)c2=O)CC1.
What is the InChIKey of 1-(1-methylcyclopropyl)-4-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]pyrazine-2,3-dione?
The InChIKey is OFTSGHLXSWSRJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O3/c1-17(4-5-17)21-8-7-20(15(22)16(21)23)11-13-9-14(19-24-13)12-3-2-6-18-10-12/h2-3,6-10H,4-5,11H2,1H3.
What are the key properties of 1-(1-methylcyclopropyl)-4-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]pyrazine-2,3-dione?
1-(1-methylcyclopropyl)-4-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]pyrazine-2,3-dione has a molecular weight of 324.34 g/mol, XLogP of 1.62, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylcyclopropyl)-4-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]pyrazine-2,3-dione is sourced from PubChem (CID 166103428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).