(4,4-dimethyl-1,3-oxazolidin-3-yl)-(2,3-dimethylquinoxalin-6-yl)methanone

C16H19N3O2 — CID 110746693

IUPAC(4,4-dimethyl-1,3-oxazolidin-3-yl)-(2,3-dimethylquinoxalin-6-yl)methanone
SMILESCc1nc2ccc(C(=O)N3COCC3(C)C)cc2nc1C
InChIInChI=1S/C16H19N3O2/c1-10-11(2)18-14-7-12(5-6-13(14)17-10)15(20)19-9-21-8-16(19,3)4/h5-7H,8-9H2,1-4H3
InChIKeyNUZHDXXIPVEOBE-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.46
Rot. Bonds1

About (4,4-dimethyl-1,3-oxazolidin-3-yl)-(2,3-dimethylquinoxalin-6-yl)methanone

(4,4-dimethyl-1,3-oxazolidin-3-yl)-(2,3-dimethylquinoxalin-6-yl)methanone (PubChem CID 110746693) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is (4,4-dimethyl-1,3-oxazolidin-3-yl)-(2,3-dimethylquinoxalin-6-yl)methanone.

Molecular Properties

Compound Name(4,4-dimethyl-1,3-oxazolidin-3-yl)-(2,3-dimethylquinoxalin-6-yl)methanone
PubChem CID110746693
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name(4,4-dimethyl-1,3-oxazolidin-3-yl)-(2,3-dimethylquinoxalin-6-yl)methanone
SMILESCc1nc2ccc(C(=O)N3COCC3(C)C)cc2nc1C
InChIInChI=1S/C16H19N3O2/c1-10-11(2)18-14-7-12(5-6-13(14)17-10)15(20)19-9-21-8-16(19,3)4/h5-7H,8-9H2,1-4H3
InChIKeyNUZHDXXIPVEOBE-UHFFFAOYSA-N
XLogP2.46
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4,4-dimethyl-1,3-oxazolidin-3-yl)-(2,3-dimethylquinoxalin-6-yl)methanone?
The IUPAC name of (4,4-dimethyl-1,3-oxazolidin-3-yl)-(2,3-dimethylquinoxalin-6-yl)methanone (CID 110746693) is (4,4-dimethyl-1,3-oxazolidin-3-yl)-(2,3-dimethylquinoxalin-6-yl)methanone.
What is the SMILES notation for (4,4-dimethyl-1,3-oxazolidin-3-yl)-(2,3-dimethylquinoxalin-6-yl)methanone?
The canonical SMILES for (4,4-dimethyl-1,3-oxazolidin-3-yl)-(2,3-dimethylquinoxalin-6-yl)methanone is Cc1nc2ccc(C(=O)N3COCC3(C)C)cc2nc1C.
What is the InChIKey of (4,4-dimethyl-1,3-oxazolidin-3-yl)-(2,3-dimethylquinoxalin-6-yl)methanone?
The InChIKey is NUZHDXXIPVEOBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-10-11(2)18-14-7-12(5-6-13(14)17-10)15(20)19-9-21-8-16(19,3)4/h5-7H,8-9H2,1-4H3.
What are the key properties of (4,4-dimethyl-1,3-oxazolidin-3-yl)-(2,3-dimethylquinoxalin-6-yl)methanone?
(4,4-dimethyl-1,3-oxazolidin-3-yl)-(2,3-dimethylquinoxalin-6-yl)methanone has a molecular weight of 285.35 g/mol, XLogP of 2.46, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-dimethyl-1,3-oxazolidin-3-yl)-(2,3-dimethylquinoxalin-6-yl)methanone is sourced from PubChem (CID 110746693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).