2-(4-ethylpyrimidin-2-yl)-1,3,4-oxadiazole

C8H8N4O — CID 170099421

IUPAC2-(4-ethylpyrimidin-2-yl)-1,3,4-oxadiazole
SMILESCCc1ccnc(-c2nnco2)n1
InChIInChI=1S/C8H8N4O/c1-2-6-3-4-9-7(11-6)8-12-10-5-13-8/h3-5H,2H2,1H3
InChIKeyADDZIINJTATMBD-UHFFFAOYSA-N
MW176.18 g/mol
LogP1.09
Rot. Bonds2

About 2-(4-ethylpyrimidin-2-yl)-1,3,4-oxadiazole

2-(4-ethylpyrimidin-2-yl)-1,3,4-oxadiazole (PubChem CID 170099421) has the molecular formula C8H8N4O and a molecular weight of 176.18 g/mol. Its IUPAC name is 2-(4-ethylpyrimidin-2-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4-ethylpyrimidin-2-yl)-1,3,4-oxadiazole
PubChem CID170099421
Molecular FormulaC8H8N4O
Molecular Weight176.18 g/mol
Exact Mass176.07
IUPAC Name2-(4-ethylpyrimidin-2-yl)-1,3,4-oxadiazole
SMILESCCc1ccnc(-c2nnco2)n1
InChIInChI=1S/C8H8N4O/c1-2-6-3-4-9-7(11-6)8-12-10-5-13-8/h3-5H,2H2,1H3
InChIKeyADDZIINJTATMBD-UHFFFAOYSA-N
XLogP1.09
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.18
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylpyrimidin-2-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-(4-ethylpyrimidin-2-yl)-1,3,4-oxadiazole (CID 170099421) is 2-(4-ethylpyrimidin-2-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4-ethylpyrimidin-2-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(4-ethylpyrimidin-2-yl)-1,3,4-oxadiazole is CCc1ccnc(-c2nnco2)n1.
What is the InChIKey of 2-(4-ethylpyrimidin-2-yl)-1,3,4-oxadiazole?
The InChIKey is ADDZIINJTATMBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O/c1-2-6-3-4-9-7(11-6)8-12-10-5-13-8/h3-5H,2H2,1H3.
What are the key properties of 2-(4-ethylpyrimidin-2-yl)-1,3,4-oxadiazole?
2-(4-ethylpyrimidin-2-yl)-1,3,4-oxadiazole has a molecular weight of 176.18 g/mol, XLogP of 1.09, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylpyrimidin-2-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 170099421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).