methyl 2-(3,4-dihydro-2H-quinoxalin-1-ylmethyl)-1,3-oxazole-4-carboxylate

C14H15N3O3 — CID 167889241

IUPACmethyl 2-(3,4-dihydro-2H-quinoxalin-1-ylmethyl)-1,3-oxazole-4-carboxylate
SMILESCOC(=O)c1coc(CN2CCNc3ccccc32)n1
InChIInChI=1S/C14H15N3O3/c1-19-14(18)11-9-20-13(16-11)8-17-7-6-15-10-4-2-3-5-12(10)17/h2-5,9,15H,6-8H2,1H3
InChIKeyPSPZROKTFOJFDX-UHFFFAOYSA-N
MW273.29 g/mol
LogP1.89
Rot. Bonds3

About methyl 2-(3,4-dihydro-2H-quinoxalin-1-ylmethyl)-1,3-oxazole-4-carboxylate

methyl 2-(3,4-dihydro-2H-quinoxalin-1-ylmethyl)-1,3-oxazole-4-carboxylate (PubChem CID 167889241) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is methyl 2-(3,4-dihydro-2H-quinoxalin-1-ylmethyl)-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-(3,4-dihydro-2H-quinoxalin-1-ylmethyl)-1,3-oxazole-4-carboxylate
PubChem CID167889241
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Namemethyl 2-(3,4-dihydro-2H-quinoxalin-1-ylmethyl)-1,3-oxazole-4-carboxylate
SMILESCOC(=O)c1coc(CN2CCNc3ccccc32)n1
InChIInChI=1S/C14H15N3O3/c1-19-14(18)11-9-20-13(16-11)8-17-7-6-15-10-4-2-3-5-12(10)17/h2-5,9,15H,6-8H2,1H3
InChIKeyPSPZROKTFOJFDX-UHFFFAOYSA-N
XLogP1.89
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2,3-dihydroindol-1-ylmethyl)-1,3-oxazole-4-carboxylic acid
CID 82294084
ethane;methyl 2-benzyl-1,3-oxazole-4-carboxylate
CID 91273560
methyl 2-(sulfanylmethyl)-1,3-oxazole-4-carboxylate
CID 165481835
methyl 2-[[(3S)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]methyl]-1,3-oxazole-4-carboxylate
CID 97280513
methyl 2-[[(4R,4aR,8aR)-4-hydroxy-4-phenyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-1-yl]methyl]-1,3-oxazole-4-carboxylate
CID 133115418
methyl 2-[(tert-butylamino)methyl]-1,3-oxazole-4-carboxylate
CID 42656277
methyl 2-(pyrrolidin-2-ylmethyl)-1,3-oxazole-4-carboxylate
CID 105463941
methyl 2-(methylsulfonylmethyl)-1,3-oxazole-4-carboxylate
CID 122673312
2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-N-(3-methoxypropyl)-1,3-oxazole-4-carboxamide
CID 25281930
4-[(2-methoxy-5-methylphenyl)methyl]-2,3-dihydro-1H-quinoxaline
CID 62160462
methyl 2-[[4-[3-phenyl-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxylate
CID 72665267
4-(2,2-difluoroethyl)-2,3-dihydro-1H-quinoxaline
CID 60922941

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3,4-dihydro-2H-quinoxalin-1-ylmethyl)-1,3-oxazole-4-carboxylate?
The IUPAC name of methyl 2-(3,4-dihydro-2H-quinoxalin-1-ylmethyl)-1,3-oxazole-4-carboxylate (CID 167889241) is methyl 2-(3,4-dihydro-2H-quinoxalin-1-ylmethyl)-1,3-oxazole-4-carboxylate.
What is the SMILES notation for methyl 2-(3,4-dihydro-2H-quinoxalin-1-ylmethyl)-1,3-oxazole-4-carboxylate?
The canonical SMILES for methyl 2-(3,4-dihydro-2H-quinoxalin-1-ylmethyl)-1,3-oxazole-4-carboxylate is COC(=O)c1coc(CN2CCNc3ccccc32)n1.
What is the InChIKey of methyl 2-(3,4-dihydro-2H-quinoxalin-1-ylmethyl)-1,3-oxazole-4-carboxylate?
The InChIKey is PSPZROKTFOJFDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-19-14(18)11-9-20-13(16-11)8-17-7-6-15-10-4-2-3-5-12(10)17/h2-5,9,15H,6-8H2,1H3.
What are the key properties of methyl 2-(3,4-dihydro-2H-quinoxalin-1-ylmethyl)-1,3-oxazole-4-carboxylate?
methyl 2-(3,4-dihydro-2H-quinoxalin-1-ylmethyl)-1,3-oxazole-4-carboxylate has a molecular weight of 273.29 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3,4-dihydro-2H-quinoxalin-1-ylmethyl)-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 167889241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).