3-(2-methoxyethyl)-5-(6-pyrrol-1-yl-3-pyridinyl)-1,2,4-oxadiazole

C14H14N4O2 — CID 71974141

IUPAC3-(2-methoxyethyl)-5-(6-pyrrol-1-yl-3-pyridinyl)-1,2,4-oxadiazole
SMILESCOCCc1noc(-c2ccc(-n3cccc3)nc2)n1
InChIInChI=1S/C14H14N4O2/c1-19-9-6-12-16-14(20-17-12)11-4-5-13(15-10-11)18-7-2-3-8-18/h2-5,7-8,10H,6,9H2,1H3
InChIKeyCYLVMEDWGSUXQX-UHFFFAOYSA-N
MW270.29 g/mol
LogP2.11
Rot. Bonds5

About 3-(2-methoxyethyl)-5-(6-pyrrol-1-yl-3-pyridinyl)-1,2,4-oxadiazole

3-(2-methoxyethyl)-5-(6-pyrrol-1-yl-3-pyridinyl)-1,2,4-oxadiazole (PubChem CID 71974141) has the molecular formula C14H14N4O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is 3-(2-methoxyethyl)-5-(6-pyrrol-1-yl-3-pyridinyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(2-methoxyethyl)-5-(6-pyrrol-1-yl-3-pyridinyl)-1,2,4-oxadiazole
PubChem CID71974141
Molecular FormulaC14H14N4O2
Molecular Weight270.29 g/mol
Exact Mass270.11
IUPAC Name3-(2-methoxyethyl)-5-(6-pyrrol-1-yl-3-pyridinyl)-1,2,4-oxadiazole
SMILESCOCCc1noc(-c2ccc(-n3cccc3)nc2)n1
InChIInChI=1S/C14H14N4O2/c1-19-9-6-12-16-14(20-17-12)11-4-5-13(15-10-11)18-7-2-3-8-18/h2-5,7-8,10H,6,9H2,1H3
InChIKeyCYLVMEDWGSUXQX-UHFFFAOYSA-N
XLogP2.11
TPSA65.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethyl)-5-(6-pyrrol-1-yl-3-pyridinyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(2-methoxyethyl)-5-(6-pyrrol-1-yl-3-pyridinyl)-1,2,4-oxadiazole (CID 71974141) is 3-(2-methoxyethyl)-5-(6-pyrrol-1-yl-3-pyridinyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(2-methoxyethyl)-5-(6-pyrrol-1-yl-3-pyridinyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(2-methoxyethyl)-5-(6-pyrrol-1-yl-3-pyridinyl)-1,2,4-oxadiazole is COCCc1noc(-c2ccc(-n3cccc3)nc2)n1.
What is the InChIKey of 3-(2-methoxyethyl)-5-(6-pyrrol-1-yl-3-pyridinyl)-1,2,4-oxadiazole?
The InChIKey is CYLVMEDWGSUXQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2/c1-19-9-6-12-16-14(20-17-12)11-4-5-13(15-10-11)18-7-2-3-8-18/h2-5,7-8,10H,6,9H2,1H3.
What are the key properties of 3-(2-methoxyethyl)-5-(6-pyrrol-1-yl-3-pyridinyl)-1,2,4-oxadiazole?
3-(2-methoxyethyl)-5-(6-pyrrol-1-yl-3-pyridinyl)-1,2,4-oxadiazole has a molecular weight of 270.29 g/mol, XLogP of 2.11, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethyl)-5-(6-pyrrol-1-yl-3-pyridinyl)-1,2,4-oxadiazole is sourced from PubChem (CID 71974141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).