(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate

C18H14N2O4S — CID 18101205

IUPAC(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate
SMILESO=C1CCc2cc(C(=O)OCc3coc(-c4cccs4)n3)ccc2N1
InChIInChI=1S/C18H14N2O4S/c21-16-6-4-11-8-12(3-5-14(11)20-16)18(22)24-10-13-9-23-17(19-13)15-2-1-7-25-15/h1-3,5,7-9H,4,6,10H2,(H,20,21)
InChIKeyVFYQYSSTGNHHKM-UHFFFAOYSA-N
MW354.39 g/mol
LogP3.64
Rot. Bonds4

About (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate

(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate (PubChem CID 18101205) has the molecular formula C18H14N2O4S and a molecular weight of 354.39 g/mol. Its IUPAC name is (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate.

Molecular Properties

Compound Name(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate
PubChem CID18101205
Molecular FormulaC18H14N2O4S
Molecular Weight354.39 g/mol
Exact Mass354.07
IUPAC Name(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate
SMILESO=C1CCc2cc(C(=O)OCc3coc(-c4cccs4)n3)ccc2N1
InChIInChI=1S/C18H14N2O4S/c21-16-6-4-11-8-12(3-5-14(11)20-16)18(22)24-10-13-9-23-17(19-13)15-2-1-7-25-15/h1-3,5,7-9H,4,6,10H2,(H,20,21)
InChIKeyVFYQYSSTGNHHKM-UHFFFAOYSA-N
XLogP3.64
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.39
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

(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 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate
CID 7888360
(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 6-pyrazol-1-ylpyridine-3-carboxylate
CID 18166865
(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 1H-indazole-3-carboxylate
CID 7372530
(2-phenyl-1,3-oxazol-4-yl)methyl 3-oxo-4H-1,4-benzothiazine-6-carboxylate
CID 16505934
(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 5-chlorothiophene-2-carboxylate
CID 7146562
(4-fluorophenyl)methyl 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate
CID 18101048
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 2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate
CID 47093904
(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2-(1,3-benzodioxole-5-carbonylamino)acetate
CID 7883130
[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate
CID 46646300

Frequently Asked Questions

What is the IUPAC name of (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate?
The IUPAC name of (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate (CID 18101205) is (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate.
What is the SMILES notation for (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate?
The canonical SMILES for (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate is O=C1CCc2cc(C(=O)OCc3coc(-c4cccs4)n3)ccc2N1.
What is the InChIKey of (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate?
The InChIKey is VFYQYSSTGNHHKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O4S/c21-16-6-4-11-8-12(3-5-14(11)20-16)18(22)24-10-13-9-23-17(19-13)15-2-1-7-25-15/h1-3,5,7-9H,4,6,10H2,(H,20,21).
What are the key properties of (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate?
(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate has a molecular weight of 354.39 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate is sourced from PubChem (CID 18101205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).