2-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)ethyl formate

C10H9N3O3 — CID 174693018

IUPAC2-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)ethyl formate
SMILESO=COCCc1nnc(-c2cccnc2)o1
InChIInChI=1S/C10H9N3O3/c14-7-15-5-3-9-12-13-10(16-9)8-2-1-4-11-6-8/h1-2,4,6-7H,3,5H2
InChIKeyKPVKONVYPKUFAU-UHFFFAOYSA-N
MW219.20 g/mol
LogP0.85
Rot. Bonds5

About 2-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)ethyl formate

2-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)ethyl formate (PubChem CID 174693018) has the molecular formula C10H9N3O3 and a molecular weight of 219.20 g/mol. Its IUPAC name is 2-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)ethyl formate.

Molecular Properties

Compound Name2-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)ethyl formate
PubChem CID174693018
Molecular FormulaC10H9N3O3
Molecular Weight219.20 g/mol
Exact Mass219.06
IUPAC Name2-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)ethyl formate
SMILESO=COCCc1nnc(-c2cccnc2)o1
InChIInChI=1S/C10H9N3O3/c14-7-15-5-3-9-12-13-10(16-9)8-2-1-4-11-6-8/h1-2,4,6-7H,3,5H2
InChIKeyKPVKONVYPKUFAU-UHFFFAOYSA-N
XLogP0.85
TPSA78.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.20
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[5-[4-(difluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]ethyl formate
CID 174643945
5-pyridin-3-yl-1,3,4-oxadiazole-2-carbaldehyde
CID 21031007
4-methoxy-N-[2-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)ethyl]benzamide
CID 110320666
N-[2-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)ethyl]thiophene-2-carboxamide
CID 110320653
N-(2-methylphenyl)-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 110330424
2-phenoxy-N-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide
CID 110318698
2-[(4-chlorophenyl)methyl]-5-pyridin-3-yl-1,3,4-oxadiazole
CID 53017502
2-(2-phenoxyethyl)-5-phenyl-1,3,4-oxadiazole
CID 110656027
N-cyclopentyl-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 110330351
methyl 3-[3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)propanoylamino]benzoate
CID 110330457
2-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-(pyridin-3-ylmethyl)ethanamine
CID 110653671
N-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]cyclopropanamine
CID 62139067

Frequently Asked Questions

What is the IUPAC name of 2-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)ethyl formate?
The IUPAC name of 2-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)ethyl formate (CID 174693018) is 2-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)ethyl formate.
What is the SMILES notation for 2-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)ethyl formate?
The canonical SMILES for 2-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)ethyl formate is O=COCCc1nnc(-c2cccnc2)o1.
What is the InChIKey of 2-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)ethyl formate?
The InChIKey is KPVKONVYPKUFAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O3/c14-7-15-5-3-9-12-13-10(16-9)8-2-1-4-11-6-8/h1-2,4,6-7H,3,5H2.
What are the key properties of 2-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)ethyl formate?
2-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)ethyl formate has a molecular weight of 219.20 g/mol, XLogP of 0.85, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)ethyl formate is sourced from PubChem (CID 174693018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).