(3-phenyl-1,2-oxazol-5-yl)methyl quinoline-2-carboxylate

C20H14N2O3 — CID 666233

IUPAC(3-phenyl-1,2-oxazol-5-yl)methyl quinoline-2-carboxylate
SMILESO=C(OCc1cc(-c2ccccc2)no1)c1ccc2ccccc2n1
InChIInChI=1S/C20H14N2O3/c23-20(18-11-10-15-8-4-5-9-17(15)21-18)24-13-16-12-19(22-25-16)14-6-2-1-3-7-14/h1-12H,13H2
InChIKeyMGSHLXFZOSPXKQ-UHFFFAOYSA-N
MW330.34 g/mol
LogP4.25
Rot. Bonds4

About (3-phenyl-1,2-oxazol-5-yl)methyl quinoline-2-carboxylate

(3-phenyl-1,2-oxazol-5-yl)methyl quinoline-2-carboxylate (PubChem CID 666233) has the molecular formula C20H14N2O3 and a molecular weight of 330.34 g/mol. Its IUPAC name is (3-phenyl-1,2-oxazol-5-yl)methyl quinoline-2-carboxylate.

Molecular Properties

Compound Name(3-phenyl-1,2-oxazol-5-yl)methyl quinoline-2-carboxylate
PubChem CID666233
Molecular FormulaC20H14N2O3
Molecular Weight330.34 g/mol
Exact Mass330.10
IUPAC Name(3-phenyl-1,2-oxazol-5-yl)methyl quinoline-2-carboxylate
SMILESO=C(OCc1cc(-c2ccccc2)no1)c1ccc2ccccc2n1
InChIInChI=1S/C20H14N2O3/c23-20(18-11-10-15-8-4-5-9-17(15)21-18)24-13-16-12-19(22-25-16)14-6-2-1-3-7-14/h1-12H,13H2
InChIKeyMGSHLXFZOSPXKQ-UHFFFAOYSA-N
XLogP4.25
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(R)-ethyl 3-methyl-5-(6-(2-(2-methylpyrrolidin-1-yl)ethyl)quinolin-2-yl)isoxazole-4-carboxylate
CID 46890640
2-Oxo-2-phenylethyl quinoline-2-carboxylate
CID 1158601
2-Quinolinecarboxylic acid (1-oxo-1-phenylpropan-2-yl) ester
CID 3151561
2-Benzoyl-3-(((furan-2-carbonyl)oxy)methyl)quinoxaline 1-oxide
CID 2013207
4-Nitrophenyl quinoline-2-carboxylate
CID 301065
Ethyl 5-[3-[[2-(trifluoromethyl)-4-quinolyl]oxy]phenyl]isoxazole-3-carboxylate
CID 44572557
(R)-ethyl 5-(6-(2-(2-methylpyrrolidin-1-yl)ethyl)quinolin-2-yl)isoxazole-3-carboxylate
CID 46890639
(3-Nitrophenyl)methyl quinoline-2-carboxylate
CID 2352765
[3-(4-Methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl quinoline-2-carboxylate
CID 4859649
2-{Cyclohexyl-[5-(quinolin-2-ylmethoxy)-isoxazol-3-yl]-methoxyimino}-propionic acid
CID 10717163
Ethyl 5-[[2,8-bis(trifluoromethyl)-4-quinolyl]oxymethyl]isoxazole-3-carboxylate
CID 16750574
ethyl 5-[(Z)-2-(4-quinolyl)vinyl]isoxazole-3-carboxylate
CID 44549330

Frequently Asked Questions

What is the IUPAC name of (3-phenyl-1,2-oxazol-5-yl)methyl quinoline-2-carboxylate?
The IUPAC name of (3-phenyl-1,2-oxazol-5-yl)methyl quinoline-2-carboxylate (CID 666233) is (3-phenyl-1,2-oxazol-5-yl)methyl quinoline-2-carboxylate.
What is the SMILES notation for (3-phenyl-1,2-oxazol-5-yl)methyl quinoline-2-carboxylate?
The canonical SMILES for (3-phenyl-1,2-oxazol-5-yl)methyl quinoline-2-carboxylate is O=C(OCc1cc(-c2ccccc2)no1)c1ccc2ccccc2n1.
What is the InChIKey of (3-phenyl-1,2-oxazol-5-yl)methyl quinoline-2-carboxylate?
The InChIKey is MGSHLXFZOSPXKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2O3/c23-20(18-11-10-15-8-4-5-9-17(15)21-18)24-13-16-12-19(22-25-16)14-6-2-1-3-7-14/h1-12H,13H2.
What are the key properties of (3-phenyl-1,2-oxazol-5-yl)methyl quinoline-2-carboxylate?
(3-phenyl-1,2-oxazol-5-yl)methyl quinoline-2-carboxylate has a molecular weight of 330.34 g/mol, XLogP of 4.25, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-phenyl-1,2-oxazol-5-yl)methyl quinoline-2-carboxylate is sourced from PubChem (CID 666233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).