(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-oxo-1H-quinoline-4-carboxylate

C19H13N3O4 — CID 2647327

IUPAC(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-oxo-1H-quinoline-4-carboxylate
SMILESO=C(OCc1nnc(-c2ccccc2)o1)c1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C19H13N3O4/c23-16-10-14(13-8-4-5-9-15(13)20-16)19(24)25-11-17-21-22-18(26-17)12-6-2-1-3-7-12/h1-10H,11H2,(H,20,23)
InChIKeyGDXNEUSOWIYMDE-UHFFFAOYSA-N
MW347.33 g/mol
LogP2.94
Rot. Bonds4

About (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-oxo-1H-quinoline-4-carboxylate

(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-oxo-1H-quinoline-4-carboxylate (PubChem CID 2647327) has the molecular formula C19H13N3O4 and a molecular weight of 347.33 g/mol. Its IUPAC name is (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-oxo-1H-quinoline-4-carboxylate.

Molecular Properties

Compound Name(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-oxo-1H-quinoline-4-carboxylate
PubChem CID2647327
Molecular FormulaC19H13N3O4
Molecular Weight347.33 g/mol
Exact Mass347.09
IUPAC Name(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-oxo-1H-quinoline-4-carboxylate
SMILESO=C(OCc1nnc(-c2ccccc2)o1)c1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C19H13N3O4/c23-16-10-14(13-8-4-5-9-15(13)20-16)19(24)25-11-17-21-22-18(26-17)12-6-2-1-3-7-12/h1-10H,11H2,(H,20,23)
InChIKeyGDXNEUSOWIYMDE-UHFFFAOYSA-N
XLogP2.94
TPSA98.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.33
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-oxo-1H-quinoline-4-carboxylate?
The IUPAC name of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-oxo-1H-quinoline-4-carboxylate (CID 2647327) is (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-oxo-1H-quinoline-4-carboxylate.
What is the SMILES notation for (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-oxo-1H-quinoline-4-carboxylate?
The canonical SMILES for (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-oxo-1H-quinoline-4-carboxylate is O=C(OCc1nnc(-c2ccccc2)o1)c1cc(=O)[nH]c2ccccc12.
What is the InChIKey of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-oxo-1H-quinoline-4-carboxylate?
The InChIKey is GDXNEUSOWIYMDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N3O4/c23-16-10-14(13-8-4-5-9-15(13)20-16)19(24)25-11-17-21-22-18(26-17)12-6-2-1-3-7-12/h1-10H,11H2,(H,20,23).
What are the key properties of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-oxo-1H-quinoline-4-carboxylate?
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-oxo-1H-quinoline-4-carboxylate has a molecular weight of 347.33 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-oxo-1H-quinoline-4-carboxylate is sourced from PubChem (CID 2647327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).