methyl 5-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)pentanoate

C13H15N3O3 — CID 59027826

IUPACmethyl 5-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)pentanoate
SMILESCOC(=O)CCCCc1nnc(-c2ccccn2)o1
InChIInChI=1S/C13H15N3O3/c1-18-12(17)8-3-2-7-11-15-16-13(19-11)10-6-4-5-9-14-10/h4-6,9H,2-3,7-8H2,1H3
InChIKeyHLPLFRJHZAUVIE-UHFFFAOYSA-N
MW261.28 g/mol
LogP2.02
Rot. Bonds6

About methyl 5-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)pentanoate

methyl 5-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)pentanoate (PubChem CID 59027826) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is methyl 5-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)pentanoate.

Molecular Properties

Compound Namemethyl 5-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)pentanoate
PubChem CID59027826
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Namemethyl 5-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)pentanoate
SMILESCOC(=O)CCCCc1nnc(-c2ccccn2)o1
InChIInChI=1S/C13H15N3O3/c1-18-12(17)8-3-2-7-11-15-16-13(19-11)10-6-4-5-9-14-10/h4-6,9H,2-3,7-8H2,1H3
InChIKeyHLPLFRJHZAUVIE-UHFFFAOYSA-N
XLogP2.02
TPSA78.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)pentanoic acid
CID 54929886
N-butyl-3-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 110330217
2-(7-phenylheptyl)-5-pyridin-2-yl-1,3,4-oxadiazole
CID 44577785
2-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)ethanol
CID 83530769
2-(4-methylphenoxy)-N-[2-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)ethyl]acetamide
CID 110320557
2-methyl-N-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)methyl]propanamide
CID 110318515
N-(2-fluorophenyl)-3-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 110330308
N-(4-propan-2-yloxyphenyl)-3-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 110330322
2-methyl-N-[2-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)ethyl]propan-2-amine
CID 55043837
[4-[5-(4-methoxy-4-oxobutyl)-1,3,4-oxadiazol-2-yl]phenyl]boronic acid
CID 58343901
N-(3-bromo-4-methylphenyl)-3-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 110330318
N-(3-chlorophenyl)-3-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 110330310

Frequently Asked Questions

What is the IUPAC name of methyl 5-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)pentanoate?
The IUPAC name of methyl 5-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)pentanoate (CID 59027826) is methyl 5-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)pentanoate.
What is the SMILES notation for methyl 5-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)pentanoate?
The canonical SMILES for methyl 5-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)pentanoate is COC(=O)CCCCc1nnc(-c2ccccn2)o1.
What is the InChIKey of methyl 5-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)pentanoate?
The InChIKey is HLPLFRJHZAUVIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c1-18-12(17)8-3-2-7-11-15-16-13(19-11)10-6-4-5-9-14-10/h4-6,9H,2-3,7-8H2,1H3.
What are the key properties of methyl 5-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)pentanoate?
methyl 5-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)pentanoate has a molecular weight of 261.28 g/mol, XLogP of 2.02, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)pentanoate is sourced from PubChem (CID 59027826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).