[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2-pyridin-4-ylquinoline-4-carboxylate

C23H15N3O4 — CID 154799956

IUPAC[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2-pyridin-4-ylquinoline-4-carboxylate
SMILESO=C(OCc1cc(-c2ccco2)on1)c1cc(-c2ccncc2)nc2ccccc12
InChIInChI=1S/C23H15N3O4/c27-23(29-14-16-12-22(30-26-16)21-6-3-11-28-21)18-13-20(15-7-9-24-10-8-15)25-19-5-2-1-4-17(18)19/h1-13H,14H2
InChIKeyDPPLTDRNQLKWEK-UHFFFAOYSA-N
MW397.39 g/mol
LogP4.90
Rot. Bonds5

About [5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2-pyridin-4-ylquinoline-4-carboxylate

[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2-pyridin-4-ylquinoline-4-carboxylate (PubChem CID 154799956) has the molecular formula C23H15N3O4 and a molecular weight of 397.39 g/mol. Its IUPAC name is [5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2-pyridin-4-ylquinoline-4-carboxylate.

Molecular Properties

Compound Name[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2-pyridin-4-ylquinoline-4-carboxylate
PubChem CID154799956
Molecular FormulaC23H15N3O4
Molecular Weight397.39 g/mol
Exact Mass397.11
IUPAC Name[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2-pyridin-4-ylquinoline-4-carboxylate
SMILESO=C(OCc1cc(-c2ccco2)on1)c1cc(-c2ccncc2)nc2ccccc12
InChIInChI=1S/C23H15N3O4/c27-23(29-14-16-12-22(30-26-16)21-6-3-11-28-21)18-13-20(15-7-9-24-10-8-15)25-19-5-2-1-4-17(18)19/h1-13H,14H2
InChIKeyDPPLTDRNQLKWEK-UHFFFAOYSA-N
XLogP4.90
TPSA91.25 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.39
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(2-phenyl-1,3-thiazol-4-yl)methyl 2-(4-phenylphenyl)quinoline-4-carboxylate
CID 3907572
(3-phenyl-1,2,4-oxadiazol-5-yl)methyl 2-(furan-2-yl)quinoline-4-carboxylate
CID 8761958
(4-cyclopropyl-1,3-thiazol-2-yl)methyl 2-pyridin-4-ylquinoline-4-carboxylate
CID 146086718
(4-bromophenyl)methyl 2-pyridin-4-ylquinoline-4-carboxylate
CID 2404179
methyl 2-[4-(furan-2-yl)phenyl]quinoline-4-carboxylate
CID 168525532
[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 4-benzoylbenzoate
CID 8808452
(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-(furan-2-yl)quinoline-4-carboxylate
CID 2659548
[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate
CID 8631782
[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2-[(2-phenylacetyl)amino]benzoate
CID 8809666
[2-(cyclopropylamino)-2-oxoethyl] 2-pyridin-4-ylquinoline-4-carboxylate
CID 23990884
(1,3-dioxoisoindol-2-yl)methyl 2-(furan-2-yl)quinoline-4-carboxylate
CID 7825277
(2-oxo-2-pyrrolidin-1-ylethyl) 2-(furan-2-yl)quinoline-4-carboxylate
CID 2089799

Frequently Asked Questions

What is the IUPAC name of [5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2-pyridin-4-ylquinoline-4-carboxylate?
The IUPAC name of [5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2-pyridin-4-ylquinoline-4-carboxylate (CID 154799956) is [5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2-pyridin-4-ylquinoline-4-carboxylate.
What is the SMILES notation for [5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2-pyridin-4-ylquinoline-4-carboxylate?
The canonical SMILES for [5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2-pyridin-4-ylquinoline-4-carboxylate is O=C(OCc1cc(-c2ccco2)on1)c1cc(-c2ccncc2)nc2ccccc12.
What is the InChIKey of [5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2-pyridin-4-ylquinoline-4-carboxylate?
The InChIKey is DPPLTDRNQLKWEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15N3O4/c27-23(29-14-16-12-22(30-26-16)21-6-3-11-28-21)18-13-20(15-7-9-24-10-8-15)25-19-5-2-1-4-17(18)19/h1-13H,14H2.
What are the key properties of [5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2-pyridin-4-ylquinoline-4-carboxylate?
[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2-pyridin-4-ylquinoline-4-carboxylate has a molecular weight of 397.39 g/mol, XLogP of 4.90, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2-pyridin-4-ylquinoline-4-carboxylate is sourced from PubChem (CID 154799956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).