1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]pyrrole-2,5-dione

C10H10N2O3 — CID 106373296

IUPAC1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]pyrrole-2,5-dione
SMILESCc1nc(CN2C(=O)C=CC2=O)oc1C
InChIInChI=1S/C10H10N2O3/c1-6-7(2)15-8(11-6)5-12-9(13)3-4-10(12)14/h3-4H,5H2,1-2H3
InChIKeyRFZYJGYYBLJLIZ-UHFFFAOYSA-N
MW206.20 g/mol
LogP0.72
Rot. Bonds2

About 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]pyrrole-2,5-dione

1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]pyrrole-2,5-dione (PubChem CID 106373296) has the molecular formula C10H10N2O3 and a molecular weight of 206.20 g/mol. Its IUPAC name is 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]pyrrole-2,5-dione
PubChem CID106373296
Molecular FormulaC10H10N2O3
Molecular Weight206.20 g/mol
Exact Mass206.07
IUPAC Name1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]pyrrole-2,5-dione
SMILESCc1nc(CN2C(=O)C=CC2=O)oc1C
InChIInChI=1S/C10H10N2O3/c1-6-7(2)15-8(11-6)5-12-9(13)3-4-10(12)14/h3-4H,5H2,1-2H3
InChIKeyRFZYJGYYBLJLIZ-UHFFFAOYSA-N
XLogP0.72
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]pyrrole-2,5-dione?
The IUPAC name of 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]pyrrole-2,5-dione (CID 106373296) is 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]pyrrole-2,5-dione is Cc1nc(CN2C(=O)C=CC2=O)oc1C.
What is the InChIKey of 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]pyrrole-2,5-dione?
The InChIKey is RFZYJGYYBLJLIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3/c1-6-7(2)15-8(11-6)5-12-9(13)3-4-10(12)14/h3-4H,5H2,1-2H3.
What are the key properties of 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]pyrrole-2,5-dione?
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]pyrrole-2,5-dione has a molecular weight of 206.20 g/mol, XLogP of 0.72, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]pyrrole-2,5-dione is sourced from PubChem (CID 106373296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).