methyl 5-[5-(2-pyridin-4-ylquinolin-4-yl)-1,3,4-oxadiazol-2-yl]-1,2-oxazole-3-carboxylate

C21H13N5O4 — CID 167777060

IUPACmethyl 5-[5-(2-pyridin-4-ylquinolin-4-yl)-1,3,4-oxadiazol-2-yl]-1,2-oxazole-3-carboxylate
SMILESCOC(=O)c1cc(-c2nnc(-c3cc(-c4ccncc4)nc4ccccc34)o2)on1
InChIInChI=1S/C21H13N5O4/c1-28-21(27)17-11-18(30-26-17)20-25-24-19(29-20)14-10-16(12-6-8-22-9-7-12)23-15-5-3-2-4-13(14)15/h2-11H,1H3
InChIKeyGYWHJACWJQMGCE-UHFFFAOYSA-N
MW399.37 g/mol
LogP3.79
Rot. Bonds4

About methyl 5-[5-(2-pyridin-4-ylquinolin-4-yl)-1,3,4-oxadiazol-2-yl]-1,2-oxazole-3-carboxylate

methyl 5-[5-(2-pyridin-4-ylquinolin-4-yl)-1,3,4-oxadiazol-2-yl]-1,2-oxazole-3-carboxylate (PubChem CID 167777060) has the molecular formula C21H13N5O4 and a molecular weight of 399.37 g/mol. Its IUPAC name is methyl 5-[5-(2-pyridin-4-ylquinolin-4-yl)-1,3,4-oxadiazol-2-yl]-1,2-oxazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[5-(2-pyridin-4-ylquinolin-4-yl)-1,3,4-oxadiazol-2-yl]-1,2-oxazole-3-carboxylate
PubChem CID167777060
Molecular FormulaC21H13N5O4
Molecular Weight399.37 g/mol
Exact Mass399.10
IUPAC Namemethyl 5-[5-(2-pyridin-4-ylquinolin-4-yl)-1,3,4-oxadiazol-2-yl]-1,2-oxazole-3-carboxylate
SMILESCOC(=O)c1cc(-c2nnc(-c3cc(-c4ccncc4)nc4ccccc34)o2)on1
InChIInChI=1S/C21H13N5O4/c1-28-21(27)17-11-18(30-26-17)20-25-24-19(29-20)14-10-16(12-6-8-22-9-7-12)23-15-5-3-2-4-13(14)15/h2-11H,1H3
InChIKeyGYWHJACWJQMGCE-UHFFFAOYSA-N
XLogP3.79
TPSA117.03 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.37
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze methyl 5-[5-(2-pyridin-4-ylquinolin-4-yl)-1,3,4-oxadiazol-2-yl]-1,2-oxazole-3-carboxylate with MolForge

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Related Compounds

methyl 5-pyridin-4-yl-1,2-oxazole-3-carboxylate
CID 74891373
2-[2-(4-bromophenyl)quinolin-4-yl]-5-phenyl-1,3,4-oxadiazole
CID 3475235
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 8011318
methyl 5-(5-amino-7-phenyl-8-pyridin-4-ylimidazo[1,2-c]pyrimidin-2-yl)-1,2-oxazole-3-carboxylate
CID 139508749
methyl 4-methyl-3-[(2-pyridin-4-ylquinoline-4-carbonyl)amino]benzoate
CID 26198220
methyl 6-pyridin-4-ylpyridine-2-carboxylate
CID 46317482
ethyl 5-(2-methylquinolin-4-yl)-1,3,4-oxadiazole-2-carboxylate
CID 115586995
3-cyclohexyl-5-(2-pyridin-4-ylquinolin-4-yl)-1,2,4-oxadiazole
CID 3236759
methyl 5-(2-bromophenyl)-1,2-oxazole-3-carboxylate
CID 57362719
[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2-pyridin-4-ylquinoline-4-carboxylate
CID 154799956
[5-[2-(3,4-dimethoxyphenyl)quinolin-4-yl]-1,3,4-oxadiazol-2-yl]methyl 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 4828929
methyl 2-(3-phenyl-1,2-oxazol-5-yl)benzoate
CID 12789637

Frequently Asked Questions

What is the IUPAC name of methyl 5-[5-(2-pyridin-4-ylquinolin-4-yl)-1,3,4-oxadiazol-2-yl]-1,2-oxazole-3-carboxylate?
The IUPAC name of methyl 5-[5-(2-pyridin-4-ylquinolin-4-yl)-1,3,4-oxadiazol-2-yl]-1,2-oxazole-3-carboxylate (CID 167777060) is methyl 5-[5-(2-pyridin-4-ylquinolin-4-yl)-1,3,4-oxadiazol-2-yl]-1,2-oxazole-3-carboxylate.
What is the SMILES notation for methyl 5-[5-(2-pyridin-4-ylquinolin-4-yl)-1,3,4-oxadiazol-2-yl]-1,2-oxazole-3-carboxylate?
The canonical SMILES for methyl 5-[5-(2-pyridin-4-ylquinolin-4-yl)-1,3,4-oxadiazol-2-yl]-1,2-oxazole-3-carboxylate is COC(=O)c1cc(-c2nnc(-c3cc(-c4ccncc4)nc4ccccc34)o2)on1.
What is the InChIKey of methyl 5-[5-(2-pyridin-4-ylquinolin-4-yl)-1,3,4-oxadiazol-2-yl]-1,2-oxazole-3-carboxylate?
The InChIKey is GYWHJACWJQMGCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13N5O4/c1-28-21(27)17-11-18(30-26-17)20-25-24-19(29-20)14-10-16(12-6-8-22-9-7-12)23-15-5-3-2-4-13(14)15/h2-11H,1H3.
What are the key properties of methyl 5-[5-(2-pyridin-4-ylquinolin-4-yl)-1,3,4-oxadiazol-2-yl]-1,2-oxazole-3-carboxylate?
methyl 5-[5-(2-pyridin-4-ylquinolin-4-yl)-1,3,4-oxadiazol-2-yl]-1,2-oxazole-3-carboxylate has a molecular weight of 399.37 g/mol, XLogP of 3.79, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[5-(2-pyridin-4-ylquinolin-4-yl)-1,3,4-oxadiazol-2-yl]-1,2-oxazole-3-carboxylate is sourced from PubChem (CID 167777060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).