(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2,3-dimethylquinoxaline-6-carboxylate

C19H15N3O3S — CID 7720920

IUPAC(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2,3-dimethylquinoxaline-6-carboxylate
SMILESCc1nc2ccc(C(=O)OCc3coc(-c4cccs4)n3)cc2nc1C
InChIInChI=1S/C19H15N3O3S/c1-11-12(2)21-16-8-13(5-6-15(16)20-11)19(23)25-10-14-9-24-18(22-14)17-4-3-7-26-17/h3-9H,10H2,1-2H3
InChIKeyGVTFQJCEARUZJR-UHFFFAOYSA-N
MW365.41 g/mol
LogP4.32
Rot. Bonds4

About (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2,3-dimethylquinoxaline-6-carboxylate

(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2,3-dimethylquinoxaline-6-carboxylate (PubChem CID 7720920) has the molecular formula C19H15N3O3S and a molecular weight of 365.41 g/mol. Its IUPAC name is (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2,3-dimethylquinoxaline-6-carboxylate.

Molecular Properties

Compound Name(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2,3-dimethylquinoxaline-6-carboxylate
PubChem CID7720920
Molecular FormulaC19H15N3O3S
Molecular Weight365.41 g/mol
Exact Mass365.08
IUPAC Name(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2,3-dimethylquinoxaline-6-carboxylate
SMILESCc1nc2ccc(C(=O)OCc3coc(-c4cccs4)n3)cc2nc1C
InChIInChI=1S/C19H15N3O3S/c1-11-12(2)21-16-8-13(5-6-15(16)20-11)19(23)25-10-14-9-24-18(22-14)17-4-3-7-26-17/h3-9H,10H2,1-2H3
InChIKeyGVTFQJCEARUZJR-UHFFFAOYSA-N
XLogP4.32
TPSA78.11 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2,3-dimethylquinoxaline-6-carboxylate with MolForge

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Related Compounds

[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl 2,3-dimethylquinoxaline-6-carboxylate
CID 55545711
(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 1-ethylbenzotriazole-5-carboxylate
CID 7805849
(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 4-formylbenzoate
CID 7669328
(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl thiophene-2-carboxylate
CID 8631208
(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate
CID 18101205
(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 3-chloro-4,5-dimethoxybenzoate
CID 7681088
(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzoate
CID 41425118
methyl 3-methoxy-4-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]benzoate
CID 17420011
(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 5-chlorothiophene-2-carboxylate
CID 7146562
(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 4-bromo-1H-pyrrole-2-carboxylate
CID 9292901
(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2-amino-5-iodobenzoate
CID 18169724
(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2-methyl-4-phenyl-1,3-thiazole-5-carboxylate
CID 8618160

Frequently Asked Questions

What is the IUPAC name of (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2,3-dimethylquinoxaline-6-carboxylate?
The IUPAC name of (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2,3-dimethylquinoxaline-6-carboxylate (CID 7720920) is (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2,3-dimethylquinoxaline-6-carboxylate.
What is the SMILES notation for (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2,3-dimethylquinoxaline-6-carboxylate?
The canonical SMILES for (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2,3-dimethylquinoxaline-6-carboxylate is Cc1nc2ccc(C(=O)OCc3coc(-c4cccs4)n3)cc2nc1C.
What is the InChIKey of (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2,3-dimethylquinoxaline-6-carboxylate?
The InChIKey is GVTFQJCEARUZJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O3S/c1-11-12(2)21-16-8-13(5-6-15(16)20-11)19(23)25-10-14-9-24-18(22-14)17-4-3-7-26-17/h3-9H,10H2,1-2H3.
What are the key properties of (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2,3-dimethylquinoxaline-6-carboxylate?
(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2,3-dimethylquinoxaline-6-carboxylate has a molecular weight of 365.41 g/mol, XLogP of 4.32, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2,3-dimethylquinoxaline-6-carboxylate is sourced from PubChem (CID 7720920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).