methyl 3-[3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)propanoylamino]benzoate

C18H16N4O4 — CID 110330457

IUPACmethyl 3-[3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)propanoylamino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)CCc2nnc(-c3cccnc3)o2)c1
InChIInChI=1S/C18H16N4O4/c1-25-18(24)12-4-2-6-14(10-12)20-15(23)7-8-16-21-22-17(26-16)13-5-3-9-19-11-13/h2-6,9-11H,7-8H2,1H3,(H,20,23)
InChIKeyYEZCUFZOPZKCOF-UHFFFAOYSA-N
MW352.35 g/mol
LogP2.49
Rot. Bonds6

About methyl 3-[3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)propanoylamino]benzoate

methyl 3-[3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)propanoylamino]benzoate (PubChem CID 110330457) has the molecular formula C18H16N4O4 and a molecular weight of 352.35 g/mol. Its IUPAC name is methyl 3-[3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)propanoylamino]benzoate.

Molecular Properties

Compound Namemethyl 3-[3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)propanoylamino]benzoate
PubChem CID110330457
Molecular FormulaC18H16N4O4
Molecular Weight352.35 g/mol
Exact Mass352.12
IUPAC Namemethyl 3-[3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)propanoylamino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)CCc2nnc(-c3cccnc3)o2)c1
InChIInChI=1S/C18H16N4O4/c1-25-18(24)12-4-2-6-14(10-12)20-15(23)7-8-16-21-22-17(26-16)13-5-3-9-19-11-13/h2-6,9-11H,7-8H2,1H3,(H,20,23)
InChIKeyYEZCUFZOPZKCOF-UHFFFAOYSA-N
XLogP2.49
TPSA107.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.35
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-acetylphenyl)-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 110330455
methyl 3-[3-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propanoylamino]benzoate
CID 110334979
methyl 3-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzoate
CID 16765520
N-(3-acetamidophenyl)-3-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 110330586
N,N-dimethyl-3-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoylamino]benzamide
CID 43043450
N-(3-methoxyphenyl)-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110335116
N-(2-methylphenyl)-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 110330424
N-(3-bromophenyl)-3-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 110330596
N-[2-oxo-2-(pyridin-3-ylamino)ethyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 51132975
N-(3-bromophenyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 29199706
N-(3-chlorophenyl)-3-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 110330570
N-(4-acetamidophenyl)-3-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110334977

Frequently Asked Questions

What is the IUPAC name of methyl 3-[3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)propanoylamino]benzoate?
The IUPAC name of methyl 3-[3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)propanoylamino]benzoate (CID 110330457) is methyl 3-[3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)propanoylamino]benzoate.
What is the SMILES notation for methyl 3-[3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)propanoylamino]benzoate?
The canonical SMILES for methyl 3-[3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)propanoylamino]benzoate is COC(=O)c1cccc(NC(=O)CCc2nnc(-c3cccnc3)o2)c1.
What is the InChIKey of methyl 3-[3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)propanoylamino]benzoate?
The InChIKey is YEZCUFZOPZKCOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O4/c1-25-18(24)12-4-2-6-14(10-12)20-15(23)7-8-16-21-22-17(26-16)13-5-3-9-19-11-13/h2-6,9-11H,7-8H2,1H3,(H,20,23).
What are the key properties of methyl 3-[3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)propanoylamino]benzoate?
methyl 3-[3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)propanoylamino]benzoate has a molecular weight of 352.35 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)propanoylamino]benzoate is sourced from PubChem (CID 110330457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).