[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-quinoxalin-2-ylmethanone

C18H19N5O2 — CID 46419065

IUPAC[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-quinoxalin-2-ylmethanone
SMILESCc1cc(CN2CCN(C(=O)c3cnc4ccccc4n3)CC2)on1
InChIInChI=1S/C18H19N5O2/c1-13-10-14(25-21-13)12-22-6-8-23(9-7-22)18(24)17-11-19-15-4-2-3-5-16(15)20-17/h2-5,10-11H,6-9,12H2,1H3
InChIKeyREQHNFDRWJGJDX-UHFFFAOYSA-N
MW337.38 g/mol
LogP1.88
Rot. Bonds3

About [4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-quinoxalin-2-ylmethanone

[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-quinoxalin-2-ylmethanone (PubChem CID 46419065) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is [4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-quinoxalin-2-ylmethanone.

Molecular Properties

Compound Name[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-quinoxalin-2-ylmethanone
PubChem CID46419065
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC Name[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-quinoxalin-2-ylmethanone
SMILESCc1cc(CN2CCN(C(=O)c3cnc4ccccc4n3)CC2)on1
InChIInChI=1S/C18H19N5O2/c1-13-10-14(25-21-13)12-22-6-8-23(9-7-22)18(24)17-11-19-15-4-2-3-5-16(15)20-17/h2-5,10-11H,6-9,12H2,1H3
InChIKeyREQHNFDRWJGJDX-UHFFFAOYSA-N
XLogP1.88
TPSA75.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-quinoxalin-2-ylmethanone with MolForge

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Related Compounds

[4-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1,4-diazepan-1-yl]-quinoxalin-2-ylmethanone
CID 139598913
[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-[2-(4-methylphenyl)quinolin-4-yl]methanone
CID 39979125
[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-(4-methylphenyl)methanone
CID 51269605
(2-methoxyphenyl)-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methanone
CID 34555816
[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-(2-methylsulfanyl-3-phenylimidazol-4-yl)methanone
CID 39979323
(3-aminophenyl)-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methanone
CID 119399318
(3,4-dichlorophenyl)-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methanone
CID 51269599
[2-(aminomethyl)-1,3-thiazol-4-yl]-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methanone;dihydrochloride
CID 119399321
(5-bromo-2-hydroxyphenyl)-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methanone
CID 51269631
[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-(4-propan-2-ylphenyl)methanone
CID 46684613
[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-[(1S,2R)-2-phenylcyclopropyl]methanone
CID 95140275
4-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-[(1S)-1-pyridin-2-ylethyl]piperazine-1-carboxamide
CID 94054984

Frequently Asked Questions

What is the IUPAC name of [4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-quinoxalin-2-ylmethanone?
The IUPAC name of [4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-quinoxalin-2-ylmethanone (CID 46419065) is [4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-quinoxalin-2-ylmethanone.
What is the SMILES notation for [4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-quinoxalin-2-ylmethanone?
The canonical SMILES for [4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-quinoxalin-2-ylmethanone is Cc1cc(CN2CCN(C(=O)c3cnc4ccccc4n3)CC2)on1.
What is the InChIKey of [4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-quinoxalin-2-ylmethanone?
The InChIKey is REQHNFDRWJGJDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2/c1-13-10-14(25-21-13)12-22-6-8-23(9-7-22)18(24)17-11-19-15-4-2-3-5-16(15)20-17/h2-5,10-11H,6-9,12H2,1H3.
What are the key properties of [4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-quinoxalin-2-ylmethanone?
[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-quinoxalin-2-ylmethanone has a molecular weight of 337.38 g/mol, XLogP of 1.88, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-quinoxalin-2-ylmethanone is sourced from PubChem (CID 46419065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).