5-benzyl-4-methyl-4,6-dihydropyrrolo[3,4-d][1,2]oxazol-3-amine

C13H15N3O — CID 83850274

IUPAC5-benzyl-4-methyl-4,6-dihydropyrrolo[3,4-d][1,2]oxazol-3-amine
SMILESCC1c2c(N)noc2CN1Cc1ccccc1
InChIInChI=1S/C13H15N3O/c1-9-12-11(17-15-13(12)14)8-16(9)7-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H2,14,15)
InChIKeyGSTIMTKLZRRJKF-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.33
Rot. Bonds2

About 5-benzyl-4-methyl-4,6-dihydropyrrolo[3,4-d][1,2]oxazol-3-amine

5-benzyl-4-methyl-4,6-dihydropyrrolo[3,4-d][1,2]oxazol-3-amine (PubChem CID 83850274) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 5-benzyl-4-methyl-4,6-dihydropyrrolo[3,4-d][1,2]oxazol-3-amine.

Molecular Properties

Compound Name5-benzyl-4-methyl-4,6-dihydropyrrolo[3,4-d][1,2]oxazol-3-amine
PubChem CID83850274
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name5-benzyl-4-methyl-4,6-dihydropyrrolo[3,4-d][1,2]oxazol-3-amine
SMILESCC1c2c(N)noc2CN1Cc1ccccc1
InChIInChI=1S/C13H15N3O/c1-9-12-11(17-15-13(12)14)8-16(9)7-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H2,14,15)
InChIKeyGSTIMTKLZRRJKF-UHFFFAOYSA-N
XLogP2.33
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-4-methyl-4,6-dihydropyrrolo[3,4-d][1,2]oxazol-3-amine?
The IUPAC name of 5-benzyl-4-methyl-4,6-dihydropyrrolo[3,4-d][1,2]oxazol-3-amine (CID 83850274) is 5-benzyl-4-methyl-4,6-dihydropyrrolo[3,4-d][1,2]oxazol-3-amine.
What is the SMILES notation for 5-benzyl-4-methyl-4,6-dihydropyrrolo[3,4-d][1,2]oxazol-3-amine?
The canonical SMILES for 5-benzyl-4-methyl-4,6-dihydropyrrolo[3,4-d][1,2]oxazol-3-amine is CC1c2c(N)noc2CN1Cc1ccccc1.
What is the InChIKey of 5-benzyl-4-methyl-4,6-dihydropyrrolo[3,4-d][1,2]oxazol-3-amine?
The InChIKey is GSTIMTKLZRRJKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-9-12-11(17-15-13(12)14)8-16(9)7-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H2,14,15).
What are the key properties of 5-benzyl-4-methyl-4,6-dihydropyrrolo[3,4-d][1,2]oxazol-3-amine?
5-benzyl-4-methyl-4,6-dihydropyrrolo[3,4-d][1,2]oxazol-3-amine has a molecular weight of 229.28 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-4-methyl-4,6-dihydropyrrolo[3,4-d][1,2]oxazol-3-amine is sourced from PubChem (CID 83850274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).