5,5-dimethyl-3-[(3-methylquinoxalin-2-yl)methyl]-1,3-oxazolidine-2,4-dione

C15H15N3O3 — CID 72895152

IUPAC5,5-dimethyl-3-[(3-methylquinoxalin-2-yl)methyl]-1,3-oxazolidine-2,4-dione
SMILESCc1nc2ccccc2nc1CN1C(=O)OC(C)(C)C1=O
InChIInChI=1S/C15H15N3O3/c1-9-12(17-11-7-5-4-6-10(11)16-9)8-18-13(19)15(2,3)21-14(18)20/h4-7H,8H2,1-3H3
InChIKeyYJBWOVKBZBJVMW-UHFFFAOYSA-N
MW285.30 g/mol
LogP2.20
Rot. Bonds2

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

5,5-dimethyl-3-[(3-methylquinoxalin-2-yl)methyl]-1,3-oxazolidine-2,4-dione (PubChem CID 72895152) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is 5,5-dimethyl-3-[(3-methylquinoxalin-2-yl)methyl]-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name5,5-dimethyl-3-[(3-methylquinoxalin-2-yl)methyl]-1,3-oxazolidine-2,4-dione
PubChem CID72895152
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name5,5-dimethyl-3-[(3-methylquinoxalin-2-yl)methyl]-1,3-oxazolidine-2,4-dione
SMILESCc1nc2ccccc2nc1CN1C(=O)OC(C)(C)C1=O
InChIInChI=1S/C15H15N3O3/c1-9-12(17-11-7-5-4-6-10(11)16-9)8-18-13(19)15(2,3)21-14(18)20/h4-7H,8H2,1-3H3
InChIKeyYJBWOVKBZBJVMW-UHFFFAOYSA-N
XLogP2.20
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-3-[(3-methylquinoxalin-2-yl)methyl]-1,3-oxazolidine-2,4-dione?
The IUPAC name of 5,5-dimethyl-3-[(3-methylquinoxalin-2-yl)methyl]-1,3-oxazolidine-2,4-dione (CID 72895152) is 5,5-dimethyl-3-[(3-methylquinoxalin-2-yl)methyl]-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for 5,5-dimethyl-3-[(3-methylquinoxalin-2-yl)methyl]-1,3-oxazolidine-2,4-dione?
The canonical SMILES for 5,5-dimethyl-3-[(3-methylquinoxalin-2-yl)methyl]-1,3-oxazolidine-2,4-dione is Cc1nc2ccccc2nc1CN1C(=O)OC(C)(C)C1=O.
What is the InChIKey of 5,5-dimethyl-3-[(3-methylquinoxalin-2-yl)methyl]-1,3-oxazolidine-2,4-dione?
The InChIKey is YJBWOVKBZBJVMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c1-9-12(17-11-7-5-4-6-10(11)16-9)8-18-13(19)15(2,3)21-14(18)20/h4-7H,8H2,1-3H3.
What are the key properties of 5,5-dimethyl-3-[(3-methylquinoxalin-2-yl)methyl]-1,3-oxazolidine-2,4-dione?
5,5-dimethyl-3-[(3-methylquinoxalin-2-yl)methyl]-1,3-oxazolidine-2,4-dione has a molecular weight of 285.30 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-3-[(3-methylquinoxalin-2-yl)methyl]-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 72895152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).