3-methyl-5-[4-[(1S)-1-quinoxalin-6-ylethyl]piperazin-1-yl]-1,3,4-oxadiazol-2-one

C17H20N6O2 — CID 130377034

IUPAC3-methyl-5-[4-[(1S)-1-quinoxalin-6-ylethyl]piperazin-1-yl]-1,3,4-oxadiazol-2-one
SMILESC[C@@H](c1ccc2nccnc2c1)N1CCN(c2nn(C)c(=O)o2)CC1
InChIInChI=1S/C17H20N6O2/c1-12(13-3-4-14-15(11-13)19-6-5-18-14)22-7-9-23(10-8-22)16-20-21(2)17(24)25-16/h3-6,11-12H,7-10H2,1-2H3/t12-/m0/s1
InChIKeyQDUWQRBCAIRDMD-LBPRGKRZSA-N
MW340.39 g/mol
LogP1.20
Rot. Bonds3

About 3-methyl-5-[4-[(1S)-1-quinoxalin-6-ylethyl]piperazin-1-yl]-1,3,4-oxadiazol-2-one

3-methyl-5-[4-[(1S)-1-quinoxalin-6-ylethyl]piperazin-1-yl]-1,3,4-oxadiazol-2-one (PubChem CID 130377034) has the molecular formula C17H20N6O2 and a molecular weight of 340.39 g/mol. Its IUPAC name is 3-methyl-5-[4-[(1S)-1-quinoxalin-6-ylethyl]piperazin-1-yl]-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name3-methyl-5-[4-[(1S)-1-quinoxalin-6-ylethyl]piperazin-1-yl]-1,3,4-oxadiazol-2-one
PubChem CID130377034
Molecular FormulaC17H20N6O2
Molecular Weight340.39 g/mol
Exact Mass340.16
IUPAC Name3-methyl-5-[4-[(1S)-1-quinoxalin-6-ylethyl]piperazin-1-yl]-1,3,4-oxadiazol-2-one
SMILESC[C@@H](c1ccc2nccnc2c1)N1CCN(c2nn(C)c(=O)o2)CC1
InChIInChI=1S/C17H20N6O2/c1-12(13-3-4-14-15(11-13)19-6-5-18-14)22-7-9-23(10-8-22)16-20-21(2)17(24)25-16/h3-6,11-12H,7-10H2,1-2H3/t12-/m0/s1
InChIKeyQDUWQRBCAIRDMD-LBPRGKRZSA-N
XLogP1.20
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3-methyl-5-[4-[(1S)-1-quinoxalin-6-ylethyl]piperazin-1-yl]-1,3,4-oxadiazol-2-one 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 3-methyl-5-[4-[(1S)-1-quinoxalin-6-ylethyl]piperazin-1-yl]-1,3,4-oxadiazol-2-one?
The IUPAC name of 3-methyl-5-[4-[(1S)-1-quinoxalin-6-ylethyl]piperazin-1-yl]-1,3,4-oxadiazol-2-one (CID 130377034) is 3-methyl-5-[4-[(1S)-1-quinoxalin-6-ylethyl]piperazin-1-yl]-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 3-methyl-5-[4-[(1S)-1-quinoxalin-6-ylethyl]piperazin-1-yl]-1,3,4-oxadiazol-2-one?
The canonical SMILES for 3-methyl-5-[4-[(1S)-1-quinoxalin-6-ylethyl]piperazin-1-yl]-1,3,4-oxadiazol-2-one is C[C@@H](c1ccc2nccnc2c1)N1CCN(c2nn(C)c(=O)o2)CC1.
What is the InChIKey of 3-methyl-5-[4-[(1S)-1-quinoxalin-6-ylethyl]piperazin-1-yl]-1,3,4-oxadiazol-2-one?
The InChIKey is QDUWQRBCAIRDMD-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H20N6O2/c1-12(13-3-4-14-15(11-13)19-6-5-18-14)22-7-9-23(10-8-22)16-20-21(2)17(24)25-16/h3-6,11-12H,7-10H2,1-2H3/t12-/m0/s1.
What are the key properties of 3-methyl-5-[4-[(1S)-1-quinoxalin-6-ylethyl]piperazin-1-yl]-1,3,4-oxadiazol-2-one?
3-methyl-5-[4-[(1S)-1-quinoxalin-6-ylethyl]piperazin-1-yl]-1,3,4-oxadiazol-2-one has a molecular weight of 340.39 g/mol, XLogP of 1.20, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[4-[(1S)-1-quinoxalin-6-ylethyl]piperazin-1-yl]-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 130377034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).