4-methyl-5,6-dihydropyrrolo[2,3-d][1,2]oxazole

C6H8N2O — CID 130698546

IUPAC4-methyl-5,6-dihydropyrrolo[2,3-d][1,2]oxazole
SMILESCN1CCc2oncc21
InChIInChI=1S/C6H8N2O/c1-8-3-2-6-5(8)4-7-9-6/h4H,2-3H2,1H3
InChIKeyPUCOSURZCREUFV-UHFFFAOYSA-N
MW124.14 g/mol
LogP0.67
Rot. Bonds

About 4-methyl-5,6-dihydropyrrolo[2,3-d][1,2]oxazole

4-methyl-5,6-dihydropyrrolo[2,3-d][1,2]oxazole (PubChem CID 130698546) has the molecular formula C6H8N2O and a molecular weight of 124.14 g/mol. Its IUPAC name is 4-methyl-5,6-dihydropyrrolo[2,3-d][1,2]oxazole.

Molecular Properties

Compound Name4-methyl-5,6-dihydropyrrolo[2,3-d][1,2]oxazole
PubChem CID130698546
Molecular FormulaC6H8N2O
Molecular Weight124.14 g/mol
Exact Mass124.06
IUPAC Name4-methyl-5,6-dihydropyrrolo[2,3-d][1,2]oxazole
SMILESCN1CCc2oncc21
InChIInChI=1S/C6H8N2O/c1-8-3-2-6-5(8)4-7-9-6/h4H,2-3H2,1H3
InChIKeyPUCOSURZCREUFV-UHFFFAOYSA-N
XLogP0.67
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.14
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-methyl-5,6-dihydropyrrolo[2,3-d][1,2]oxazole 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-5,6-dihydropyrrolo[2,3-d][1,2]oxazole?
The IUPAC name of 4-methyl-5,6-dihydropyrrolo[2,3-d][1,2]oxazole (CID 130698546) is 4-methyl-5,6-dihydropyrrolo[2,3-d][1,2]oxazole.
What is the SMILES notation for 4-methyl-5,6-dihydropyrrolo[2,3-d][1,2]oxazole?
The canonical SMILES for 4-methyl-5,6-dihydropyrrolo[2,3-d][1,2]oxazole is CN1CCc2oncc21.
What is the InChIKey of 4-methyl-5,6-dihydropyrrolo[2,3-d][1,2]oxazole?
The InChIKey is PUCOSURZCREUFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O/c1-8-3-2-6-5(8)4-7-9-6/h4H,2-3H2,1H3.
What are the key properties of 4-methyl-5,6-dihydropyrrolo[2,3-d][1,2]oxazole?
4-methyl-5,6-dihydropyrrolo[2,3-d][1,2]oxazole has a molecular weight of 124.14 g/mol, XLogP of 0.67, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5,6-dihydropyrrolo[2,3-d][1,2]oxazole is sourced from PubChem (CID 130698546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).