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

C19H13N3O3 — CID 2103632

IUPAC(5-phenyl-1,3,4-oxadiazol-2-yl)methyl quinoline-2-carboxylate
SMILESO=C(OCc1nnc(-c2ccccc2)o1)c1ccc2ccccc2n1
InChIInChI=1S/C19H13N3O3/c23-19(16-11-10-13-6-4-5-9-15(13)20-16)24-12-17-21-22-18(25-17)14-7-2-1-3-8-14/h1-11H,12H2
InChIKeyKGKIEFRDNCAJGB-UHFFFAOYSA-N
MW331.33 g/mol
LogP3.64
Rot. Bonds4

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

(5-phenyl-1,3,4-oxadiazol-2-yl)methyl quinoline-2-carboxylate (PubChem CID 2103632) has the molecular formula C19H13N3O3 and a molecular weight of 331.33 g/mol. Its IUPAC name is (5-phenyl-1,3,4-oxadiazol-2-yl)methyl quinoline-2-carboxylate.

Molecular Properties

Compound Name(5-phenyl-1,3,4-oxadiazol-2-yl)methyl quinoline-2-carboxylate
PubChem CID2103632
Molecular FormulaC19H13N3O3
Molecular Weight331.33 g/mol
Exact Mass331.10
IUPAC Name(5-phenyl-1,3,4-oxadiazol-2-yl)methyl quinoline-2-carboxylate
SMILESO=C(OCc1nnc(-c2ccccc2)o1)c1ccc2ccccc2n1
InChIInChI=1S/C19H13N3O3/c23-19(16-11-10-13-6-4-5-9-15(13)20-16)24-12-17-21-22-18(25-17)14-7-2-1-3-8-14/h1-11H,12H2
InChIKeyKGKIEFRDNCAJGB-UHFFFAOYSA-N
XLogP3.64
TPSA78.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.33
LogP ≤ 53.64
H-Bond Donors ≤ 50
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 quinoline-2-carboxylate?
The IUPAC name of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl quinoline-2-carboxylate (CID 2103632) is (5-phenyl-1,3,4-oxadiazol-2-yl)methyl quinoline-2-carboxylate.
What is the SMILES notation for (5-phenyl-1,3,4-oxadiazol-2-yl)methyl quinoline-2-carboxylate?
The canonical SMILES for (5-phenyl-1,3,4-oxadiazol-2-yl)methyl quinoline-2-carboxylate is O=C(OCc1nnc(-c2ccccc2)o1)c1ccc2ccccc2n1.
What is the InChIKey of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl quinoline-2-carboxylate?
The InChIKey is KGKIEFRDNCAJGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N3O3/c23-19(16-11-10-13-6-4-5-9-15(13)20-16)24-12-17-21-22-18(25-17)14-7-2-1-3-8-14/h1-11H,12H2.
What are the key properties of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl quinoline-2-carboxylate?
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl quinoline-2-carboxylate has a molecular weight of 331.33 g/mol, XLogP of 3.64, 4 rotatable bonds, 0 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 quinoline-2-carboxylate is sourced from PubChem (CID 2103632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).