(7aR)-3-methyl-6-(4-methylphenyl)-3,7a-dihydro-1H-imidazo[1,5-c][1,3]oxazole-5,7-dione

C13H14N2O3 — CID 67936270

IUPAC(7aR)-3-methyl-6-(4-methylphenyl)-3,7a-dihydro-1H-imidazo[1,5-c][1,3]oxazole-5,7-dione
SMILESCc1ccc(N2C(=O)[C@H]3COC(C)N3C2=O)cc1
InChIInChI=1S/C13H14N2O3/c1-8-3-5-10(6-4-8)15-12(16)11-7-18-9(2)14(11)13(15)17/h3-6,9,11H,7H2,1-2H3/t9?,11-/m1/s1
InChIKeyKEUGLEFLGODOBJ-HCCKASOXSA-N
MW246.27 g/mol
LogP1.51
Rot. Bonds1

About (7aR)-3-methyl-6-(4-methylphenyl)-3,7a-dihydro-1H-imidazo[1,5-c][1,3]oxazole-5,7-dione

(7aR)-3-methyl-6-(4-methylphenyl)-3,7a-dihydro-1H-imidazo[1,5-c][1,3]oxazole-5,7-dione (PubChem CID 67936270) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is (7aR)-3-methyl-6-(4-methylphenyl)-3,7a-dihydro-1H-imidazo[1,5-c][1,3]oxazole-5,7-dione.

Molecular Properties

Compound Name(7aR)-3-methyl-6-(4-methylphenyl)-3,7a-dihydro-1H-imidazo[1,5-c][1,3]oxazole-5,7-dione
PubChem CID67936270
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Name(7aR)-3-methyl-6-(4-methylphenyl)-3,7a-dihydro-1H-imidazo[1,5-c][1,3]oxazole-5,7-dione
SMILESCc1ccc(N2C(=O)[C@H]3COC(C)N3C2=O)cc1
InChIInChI=1S/C13H14N2O3/c1-8-3-5-10(6-4-8)15-12(16)11-7-18-9(2)14(11)13(15)17/h3-6,9,11H,7H2,1-2H3/t9?,11-/m1/s1
InChIKeyKEUGLEFLGODOBJ-HCCKASOXSA-N
XLogP1.51
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (7aR)-3-methyl-6-(4-methylphenyl)-3,7a-dihydro-1H-imidazo[1,5-c][1,3]oxazole-5,7-dione?
The IUPAC name of (7aR)-3-methyl-6-(4-methylphenyl)-3,7a-dihydro-1H-imidazo[1,5-c][1,3]oxazole-5,7-dione (CID 67936270) is (7aR)-3-methyl-6-(4-methylphenyl)-3,7a-dihydro-1H-imidazo[1,5-c][1,3]oxazole-5,7-dione.
What is the SMILES notation for (7aR)-3-methyl-6-(4-methylphenyl)-3,7a-dihydro-1H-imidazo[1,5-c][1,3]oxazole-5,7-dione?
The canonical SMILES for (7aR)-3-methyl-6-(4-methylphenyl)-3,7a-dihydro-1H-imidazo[1,5-c][1,3]oxazole-5,7-dione is Cc1ccc(N2C(=O)[C@H]3COC(C)N3C2=O)cc1.
What is the InChIKey of (7aR)-3-methyl-6-(4-methylphenyl)-3,7a-dihydro-1H-imidazo[1,5-c][1,3]oxazole-5,7-dione?
The InChIKey is KEUGLEFLGODOBJ-HCCKASOXSA-N. The full InChI is InChI=1S/C13H14N2O3/c1-8-3-5-10(6-4-8)15-12(16)11-7-18-9(2)14(11)13(15)17/h3-6,9,11H,7H2,1-2H3/t9?,11-/m1/s1.
What are the key properties of (7aR)-3-methyl-6-(4-methylphenyl)-3,7a-dihydro-1H-imidazo[1,5-c][1,3]oxazole-5,7-dione?
(7aR)-3-methyl-6-(4-methylphenyl)-3,7a-dihydro-1H-imidazo[1,5-c][1,3]oxazole-5,7-dione has a molecular weight of 246.27 g/mol, XLogP of 1.51, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7aR)-3-methyl-6-(4-methylphenyl)-3,7a-dihydro-1H-imidazo[1,5-c][1,3]oxazole-5,7-dione is sourced from PubChem (CID 67936270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).