5-benzyl-N-quinolin-8-yl-1,3,4-oxadiazole-2-carboxamide

C19H14N4O2 — CID 110393337

IUPAC5-benzyl-N-quinolin-8-yl-1,3,4-oxadiazole-2-carboxamide
SMILESO=C(Nc1cccc2cccnc12)c1nnc(Cc2ccccc2)o1
InChIInChI=1S/C19H14N4O2/c24-18(21-15-10-4-8-14-9-5-11-20-17(14)15)19-23-22-16(25-19)12-13-6-2-1-3-7-13/h1-11H,12H2,(H,21,24)
InChIKeyKGTDDJPGQJVYNA-UHFFFAOYSA-N
MW330.35 g/mol
LogP3.46
Rot. Bonds4

About 5-benzyl-N-quinolin-8-yl-1,3,4-oxadiazole-2-carboxamide

5-benzyl-N-quinolin-8-yl-1,3,4-oxadiazole-2-carboxamide (PubChem CID 110393337) has the molecular formula C19H14N4O2 and a molecular weight of 330.35 g/mol. Its IUPAC name is 5-benzyl-N-quinolin-8-yl-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound Name5-benzyl-N-quinolin-8-yl-1,3,4-oxadiazole-2-carboxamide
PubChem CID110393337
Molecular FormulaC19H14N4O2
Molecular Weight330.35 g/mol
Exact Mass330.11
IUPAC Name5-benzyl-N-quinolin-8-yl-1,3,4-oxadiazole-2-carboxamide
SMILESO=C(Nc1cccc2cccnc12)c1nnc(Cc2ccccc2)o1
InChIInChI=1S/C19H14N4O2/c24-18(21-15-10-4-8-14-9-5-11-20-17(14)15)19-23-22-16(25-19)12-13-6-2-1-3-7-13/h1-11H,12H2,(H,21,24)
InChIKeyKGTDDJPGQJVYNA-UHFFFAOYSA-N
XLogP3.46
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-benzyl-N-(2-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110393297
5-benzyl-N-(2,6-difluorophenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110393360
2-phenyl-N-quinolin-8-yl-1,3-oxazole-5-carboxamide
CID 110681499
3-phenylmethoxy-N-quinolin-8-ylpyridine-2-carboxamide
CID 69444328
5-ethyl-N-quinolin-8-ylfuran-2-carboxamide
CID 110697813
2-N,5-N-di(quinolin-8-yl)thiophene-2,5-dicarboxamide
CID 23913298
2,2-dimethyl-5-phenyl-N-quinolin-8-ylpentanamide
CID 132571622
4-N-benzyl-2-N-quinolin-8-ylpyridine-2,4-dicarboxamide
CID 109085380
1-benzyl-3-quinolin-8-ylthiourea
CID 8655123
2-[2-oxo-2-(quinolin-8-ylamino)ethyl]sulfanylacetic acid
CID 104569029
5-benzyl-N-butyl-1,3,4-oxadiazole-2-carboxamide
CID 110393174
2-(aminomethyl)-N-quinolin-8-ylbenzamide
CID 82546402

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-N-quinolin-8-yl-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of 5-benzyl-N-quinolin-8-yl-1,3,4-oxadiazole-2-carboxamide (CID 110393337) is 5-benzyl-N-quinolin-8-yl-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for 5-benzyl-N-quinolin-8-yl-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for 5-benzyl-N-quinolin-8-yl-1,3,4-oxadiazole-2-carboxamide is O=C(Nc1cccc2cccnc12)c1nnc(Cc2ccccc2)o1.
What is the InChIKey of 5-benzyl-N-quinolin-8-yl-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is KGTDDJPGQJVYNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4O2/c24-18(21-15-10-4-8-14-9-5-11-20-17(14)15)19-23-22-16(25-19)12-13-6-2-1-3-7-13/h1-11H,12H2,(H,21,24).
What are the key properties of 5-benzyl-N-quinolin-8-yl-1,3,4-oxadiazole-2-carboxamide?
5-benzyl-N-quinolin-8-yl-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 330.35 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-N-quinolin-8-yl-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 110393337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).