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

C18H16N4O4 — CID 16765520

IUPACmethyl 3-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)CCc2nc(-c3cccnc3)no2)c1
InChIInChI=1S/C18H16N4O4/c1-25-18(24)12-4-2-6-14(10-12)20-15(23)7-8-16-21-17(22-26-16)13-5-3-9-19-11-13/h2-6,9-11H,7-8H2,1H3,(H,20,23)
InChIKeyHUIPUNHBVCHHBA-UHFFFAOYSA-N
MW352.35 g/mol
LogP2.49
Rot. Bonds6

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

methyl 3-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzoate (PubChem CID 16765520) has the molecular formula C18H16N4O4 and a molecular weight of 352.35 g/mol. Its IUPAC name is methyl 3-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzoate.

Molecular Properties

Compound Namemethyl 3-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzoate
PubChem CID16765520
Molecular FormulaC18H16N4O4
Molecular Weight352.35 g/mol
Exact Mass352.12
IUPAC Namemethyl 3-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)CCc2nc(-c3cccnc3)no2)c1
InChIInChI=1S/C18H16N4O4/c1-25-18(24)12-4-2-6-14(10-12)20-15(23)7-8-16-21-17(22-26-16)13-5-3-9-19-11-13/h2-6,9-11H,7-8H2,1H3,(H,20,23)
InChIKeyHUIPUNHBVCHHBA-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-methoxyphenyl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 51233747
methyl 3-[3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)propanoylamino]benzoate
CID 110330457
N-(4-acetylphenyl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 16765512
4-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide
CID 51233758
N-(6-methoxy-3-pyridinyl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 46459907
N-[4-(methylcarbamoylamino)phenyl]-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 55626773
2-chloro-N-methyl-5-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide
CID 55991123
2-chloro-N-phenyl-5-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide
CID 86954732
N-[4-(2-amino-2-oxoethyl)phenyl]-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 46460553
N-[3-(2-oxopyrrolidin-1-yl)phenyl]-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 46492964
N-(4-chloro-2-methylphenyl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 53047544
N-[3-(2-methoxyethoxy)phenyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 55878972

Frequently Asked Questions

What is the IUPAC name of methyl 3-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzoate?
The IUPAC name of methyl 3-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzoate (CID 16765520) is methyl 3-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzoate.
What is the SMILES notation for methyl 3-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzoate?
The canonical SMILES for methyl 3-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzoate is COC(=O)c1cccc(NC(=O)CCc2nc(-c3cccnc3)no2)c1.
What is the InChIKey of methyl 3-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzoate?
The InChIKey is HUIPUNHBVCHHBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O4/c1-25-18(24)12-4-2-6-14(10-12)20-15(23)7-8-16-21-17(22-26-16)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-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzoate?
methyl 3-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-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-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzoate is sourced from PubChem (CID 16765520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).