1-(1,2-oxazolidin-2-yl)-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)sulfanylethanone

C17H20N4O2S — CID 99701778

IUPAC1-(1,2-oxazolidin-2-yl)-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)sulfanylethanone
SMILESO=C(CSc1nc2ccccc2nc1N1CCCC1)N1CCCO1
InChIInChI=1S/C17H20N4O2S/c22-15(21-10-5-11-23-21)12-24-17-16(20-8-3-4-9-20)18-13-6-1-2-7-14(13)19-17/h1-2,6-7H,3-5,8-12H2
InChIKeyFYTAHZUNFYEOOA-UHFFFAOYSA-N
MW344.44 g/mol
LogP2.49
Rot. Bonds4

About 1-(1,2-oxazolidin-2-yl)-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)sulfanylethanone

1-(1,2-oxazolidin-2-yl)-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)sulfanylethanone (PubChem CID 99701778) has the molecular formula C17H20N4O2S and a molecular weight of 344.44 g/mol. Its IUPAC name is 1-(1,2-oxazolidin-2-yl)-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)sulfanylethanone.

Molecular Properties

Compound Name1-(1,2-oxazolidin-2-yl)-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)sulfanylethanone
PubChem CID99701778
Molecular FormulaC17H20N4O2S
Molecular Weight344.44 g/mol
Exact Mass344.13
IUPAC Name1-(1,2-oxazolidin-2-yl)-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)sulfanylethanone
SMILESO=C(CSc1nc2ccccc2nc1N1CCCC1)N1CCCO1
InChIInChI=1S/C17H20N4O2S/c22-15(21-10-5-11-23-21)12-24-17-16(20-8-3-4-9-20)18-13-6-1-2-7-14(13)19-17/h1-2,6-7H,3-5,8-12H2
InChIKeyFYTAHZUNFYEOOA-UHFFFAOYSA-N
XLogP2.49
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-(1,2-oxazolidin-2-yl)-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)sulfanylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(1,2-oxazolidin-2-yl)-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)sulfanylethanone?
The IUPAC name of 1-(1,2-oxazolidin-2-yl)-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)sulfanylethanone (CID 99701778) is 1-(1,2-oxazolidin-2-yl)-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)sulfanylethanone.
What is the SMILES notation for 1-(1,2-oxazolidin-2-yl)-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)sulfanylethanone?
The canonical SMILES for 1-(1,2-oxazolidin-2-yl)-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)sulfanylethanone is O=C(CSc1nc2ccccc2nc1N1CCCC1)N1CCCO1.
What is the InChIKey of 1-(1,2-oxazolidin-2-yl)-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)sulfanylethanone?
The InChIKey is FYTAHZUNFYEOOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2S/c22-15(21-10-5-11-23-21)12-24-17-16(20-8-3-4-9-20)18-13-6-1-2-7-14(13)19-17/h1-2,6-7H,3-5,8-12H2.
What are the key properties of 1-(1,2-oxazolidin-2-yl)-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)sulfanylethanone?
1-(1,2-oxazolidin-2-yl)-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)sulfanylethanone has a molecular weight of 344.44 g/mol, XLogP of 2.49, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-oxazolidin-2-yl)-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)sulfanylethanone is sourced from PubChem (CID 99701778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).