4-methyl-3-[(3-methylimidazol-4-yl)methyl]-1,2,4-oxadiazol-5-one

C8H10N4O2 — CID 19987330

IUPAC4-methyl-3-[(3-methylimidazol-4-yl)methyl]-1,2,4-oxadiazol-5-one
SMILESCn1cncc1Cc1noc(=O)n1C
InChIInChI=1S/C8H10N4O2/c1-11-5-9-4-6(11)3-7-10-14-8(13)12(7)2/h4-5H,3H2,1-2H3
InChIKeyAPMLVLFEEVVGQG-UHFFFAOYSA-N
MW194.19 g/mol
LogP-0.30
Rot. Bonds2

About 4-methyl-3-[(3-methylimidazol-4-yl)methyl]-1,2,4-oxadiazol-5-one

4-methyl-3-[(3-methylimidazol-4-yl)methyl]-1,2,4-oxadiazol-5-one (PubChem CID 19987330) has the molecular formula C8H10N4O2 and a molecular weight of 194.19 g/mol. Its IUPAC name is 4-methyl-3-[(3-methylimidazol-4-yl)methyl]-1,2,4-oxadiazol-5-one.

Molecular Properties

Compound Name4-methyl-3-[(3-methylimidazol-4-yl)methyl]-1,2,4-oxadiazol-5-one
PubChem CID19987330
Molecular FormulaC8H10N4O2
Molecular Weight194.19 g/mol
Exact Mass194.08
IUPAC Name4-methyl-3-[(3-methylimidazol-4-yl)methyl]-1,2,4-oxadiazol-5-one
SMILESCn1cncc1Cc1noc(=O)n1C
InChIInChI=1S/C8H10N4O2/c1-11-5-9-4-6(11)3-7-10-14-8(13)12(7)2/h4-5H,3H2,1-2H3
InChIKeyAPMLVLFEEVVGQG-UHFFFAOYSA-N
XLogP-0.30
TPSA65.85 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 5-0.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-methyl-3-[(3-methylimidazol-4-yl)methyl]-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-methyl-3-[(3-methylimidazol-4-yl)methyl]-1,2,4-oxadiazol-5-one?
The IUPAC name of 4-methyl-3-[(3-methylimidazol-4-yl)methyl]-1,2,4-oxadiazol-5-one (CID 19987330) is 4-methyl-3-[(3-methylimidazol-4-yl)methyl]-1,2,4-oxadiazol-5-one.
What is the SMILES notation for 4-methyl-3-[(3-methylimidazol-4-yl)methyl]-1,2,4-oxadiazol-5-one?
The canonical SMILES for 4-methyl-3-[(3-methylimidazol-4-yl)methyl]-1,2,4-oxadiazol-5-one is Cn1cncc1Cc1noc(=O)n1C.
What is the InChIKey of 4-methyl-3-[(3-methylimidazol-4-yl)methyl]-1,2,4-oxadiazol-5-one?
The InChIKey is APMLVLFEEVVGQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O2/c1-11-5-9-4-6(11)3-7-10-14-8(13)12(7)2/h4-5H,3H2,1-2H3.
What are the key properties of 4-methyl-3-[(3-methylimidazol-4-yl)methyl]-1,2,4-oxadiazol-5-one?
4-methyl-3-[(3-methylimidazol-4-yl)methyl]-1,2,4-oxadiazol-5-one has a molecular weight of 194.19 g/mol, XLogP of -0.30, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[(3-methylimidazol-4-yl)methyl]-1,2,4-oxadiazol-5-one is sourced from PubChem (CID 19987330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).