(3-methylquinoxalin-2-yl)methyl 3-methyl-1,2-oxazole-5-carboxylate

C15H13N3O3 — CID 18199693

IUPAC(3-methylquinoxalin-2-yl)methyl 3-methyl-1,2-oxazole-5-carboxylate
SMILESCc1cc(C(=O)OCc2nc3ccccc3nc2C)on1
InChIInChI=1S/C15H13N3O3/c1-9-7-14(21-18-9)15(19)20-8-13-10(2)16-11-5-3-4-6-12(11)17-13/h3-7H,8H2,1-2H3
InChIKeyOPRVVZHUSBTFOZ-UHFFFAOYSA-N
MW283.29 g/mol
LogP2.59
Rot. Bonds3

About (3-methylquinoxalin-2-yl)methyl 3-methyl-1,2-oxazole-5-carboxylate

(3-methylquinoxalin-2-yl)methyl 3-methyl-1,2-oxazole-5-carboxylate (PubChem CID 18199693) has the molecular formula C15H13N3O3 and a molecular weight of 283.29 g/mol. Its IUPAC name is (3-methylquinoxalin-2-yl)methyl 3-methyl-1,2-oxazole-5-carboxylate.

Molecular Properties

Compound Name(3-methylquinoxalin-2-yl)methyl 3-methyl-1,2-oxazole-5-carboxylate
PubChem CID18199693
Molecular FormulaC15H13N3O3
Molecular Weight283.29 g/mol
Exact Mass283.10
IUPAC Name(3-methylquinoxalin-2-yl)methyl 3-methyl-1,2-oxazole-5-carboxylate
SMILESCc1cc(C(=O)OCc2nc3ccccc3nc2C)on1
InChIInChI=1S/C15H13N3O3/c1-9-7-14(21-18-9)15(19)20-8-13-10(2)16-11-5-3-4-6-12(11)17-13/h3-7H,8H2,1-2H3
InChIKeyOPRVVZHUSBTFOZ-UHFFFAOYSA-N
XLogP2.59
TPSA78.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(3-ethoxycarbonyl-4-methylquinolin-2-yl)methyl 3-methyl-1,2-oxazole-5-carboxylate
CID 38080268
bis[(3-methylquinoxalin-2-yl)methyl] pyridine-2,6-dicarboxylate
CID 46795021
(3-methylquinoxalin-2-yl)methyl 2-methylbenzoate
CID 18079246
(3-methylquinoxalin-2-yl)methyl 3,4-difluorobenzoate
CID 18194516
(3-methylquinoxalin-2-yl)methyl 2-hydroxy-5-methylbenzoate
CID 18199245
(2-phenyl-1,3-oxazol-4-yl)methyl 3-methyl-1,2-oxazole-5-carboxylate
CID 18199699
(3-methylquinoxalin-2-yl)methyl 7-fluoro-2,3-dimethylquinoxaline-5-carboxylate
CID 75404250
(3-methylquinoxalin-2-yl)methyl 3-(methylsulfamoyl)benzoate
CID 18079287
(3-methylquinoxalin-2-yl)methyl 1-methylindole-3-carboxylate
CID 39965742
(3-methylquinoxalin-2-yl)methyl 2-methylsulfanylpyridine-3-carboxylate
CID 18079281
(3-methylquinoxalin-2-yl)methyl 6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxylate
CID 18192272
(3-methylquinoxalin-2-yl)methyl 5-nitrothiophene-2-carboxylate
CID 18079292

Frequently Asked Questions

What is the IUPAC name of (3-methylquinoxalin-2-yl)methyl 3-methyl-1,2-oxazole-5-carboxylate?
The IUPAC name of (3-methylquinoxalin-2-yl)methyl 3-methyl-1,2-oxazole-5-carboxylate (CID 18199693) is (3-methylquinoxalin-2-yl)methyl 3-methyl-1,2-oxazole-5-carboxylate.
What is the SMILES notation for (3-methylquinoxalin-2-yl)methyl 3-methyl-1,2-oxazole-5-carboxylate?
The canonical SMILES for (3-methylquinoxalin-2-yl)methyl 3-methyl-1,2-oxazole-5-carboxylate is Cc1cc(C(=O)OCc2nc3ccccc3nc2C)on1.
What is the InChIKey of (3-methylquinoxalin-2-yl)methyl 3-methyl-1,2-oxazole-5-carboxylate?
The InChIKey is OPRVVZHUSBTFOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3/c1-9-7-14(21-18-9)15(19)20-8-13-10(2)16-11-5-3-4-6-12(11)17-13/h3-7H,8H2,1-2H3.
What are the key properties of (3-methylquinoxalin-2-yl)methyl 3-methyl-1,2-oxazole-5-carboxylate?
(3-methylquinoxalin-2-yl)methyl 3-methyl-1,2-oxazole-5-carboxylate has a molecular weight of 283.29 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylquinoxalin-2-yl)methyl 3-methyl-1,2-oxazole-5-carboxylate is sourced from PubChem (CID 18199693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).