5-methyl-3-phenyl-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazole

C12H14N2O — CID 56648685

IUPAC5-methyl-3-phenyl-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazole
SMILESCN1CC2ON=C(c3ccccc3)C2C1
InChIInChI=1S/C12H14N2O/c1-14-7-10-11(8-14)15-13-12(10)9-5-3-2-4-6-9/h2-6,10-11H,7-8H2,1H3
InChIKeyOGASDKWFEWGEDH-UHFFFAOYSA-N
MW202.26 g/mol
LogP1.35
Rot. Bonds1

About 5-methyl-3-phenyl-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazole

5-methyl-3-phenyl-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazole (PubChem CID 56648685) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 5-methyl-3-phenyl-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazole.

Molecular Properties

Compound Name5-methyl-3-phenyl-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazole
PubChem CID56648685
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name5-methyl-3-phenyl-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazole
SMILESCN1CC2ON=C(c3ccccc3)C2C1
InChIInChI=1S/C12H14N2O/c1-14-7-10-11(8-14)15-13-12(10)9-5-3-2-4-6-9/h2-6,10-11H,7-8H2,1H3
InChIKeyOGASDKWFEWGEDH-UHFFFAOYSA-N
XLogP1.35
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-phenyl-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazole?
The IUPAC name of 5-methyl-3-phenyl-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazole (CID 56648685) is 5-methyl-3-phenyl-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazole.
What is the SMILES notation for 5-methyl-3-phenyl-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazole?
The canonical SMILES for 5-methyl-3-phenyl-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazole is CN1CC2ON=C(c3ccccc3)C2C1.
What is the InChIKey of 5-methyl-3-phenyl-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazole?
The InChIKey is OGASDKWFEWGEDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-14-7-10-11(8-14)15-13-12(10)9-5-3-2-4-6-9/h2-6,10-11H,7-8H2,1H3.
What are the key properties of 5-methyl-3-phenyl-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazole?
5-methyl-3-phenyl-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazole has a molecular weight of 202.26 g/mol, XLogP of 1.35, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-phenyl-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazole is sourced from PubChem (CID 56648685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).