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

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Related Compounds

2-methyl-1-[2-[4-(1-quinoxalin-6-ylethyl)piperazin-1-yl]pyrimidin-5-yl]propan-1-ol
CID 130366452
6-[1-[4-(5-methylsulfanyl-2-pyridinyl)piperazin-1-yl]ethyl]quinoxaline
CID 130377123
ethane;2-methyl-6-(1-quinoxalin-6-ylethyl)-4,5,7,8-tetrahydropyrazolo[1,5-d][1,4]diazepine
CID 154685761
6-(1-quinoxalin-6-ylethyl)-4,5,7,8-tetrahydro-[1,3]oxazolo[4,5-d]azepine
CID 164762728
2-methyl-6-(1-quinoxalin-6-ylethyl)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine
CID 154685732
7-[(1S)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]quinoline
CID 118911329
3-methyl-5-(1-piperazin-1-ylethyl)-1,3-benzoxazol-2-one
CID 82500900
2-[4-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]piperazin-1-yl]pyrimidine
CID 118911376
2-[4-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]piperazin-1-yl]pyrimidine
CID 118902935
2-methyl-5-[1-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]ethyl]-1,3-benzothiazole
CID 167102077
6-[1-[3-[(2,6-dimethyl-4-pyridinyl)methyl]pyrrolidin-1-yl]ethyl]quinoxaline;sulfane
CID 161243207
3-[2-[4-(1-quinolin-7-ylethyl)piperazin-1-yl]pyrimidin-5-yl]butan-2-imine
CID 175959537

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).