5-ethyl-3-(1,2,4-triazol-1-yl)-4,5-dihydro-1,2-oxazole

C7H10N4O — CID 163393821

IUPAC5-ethyl-3-(1,2,4-triazol-1-yl)-4,5-dihydro-1,2-oxazole
SMILESCCC1CC(n2cncn2)=NO1
InChIInChI=1S/C7H10N4O/c1-2-6-3-7(10-12-6)11-5-8-4-9-11/h4-6H,2-3H2,1H3
InChIKeyRCBSTHLAILJGIP-UHFFFAOYSA-N
MW166.18 g/mol
LogP0.64
Rot. Bonds1

About 5-ethyl-3-(1,2,4-triazol-1-yl)-4,5-dihydro-1,2-oxazole

5-ethyl-3-(1,2,4-triazol-1-yl)-4,5-dihydro-1,2-oxazole (PubChem CID 163393821) has the molecular formula C7H10N4O and a molecular weight of 166.18 g/mol. Its IUPAC name is 5-ethyl-3-(1,2,4-triazol-1-yl)-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name5-ethyl-3-(1,2,4-triazol-1-yl)-4,5-dihydro-1,2-oxazole
PubChem CID163393821
Molecular FormulaC7H10N4O
Molecular Weight166.18 g/mol
Exact Mass166.09
IUPAC Name5-ethyl-3-(1,2,4-triazol-1-yl)-4,5-dihydro-1,2-oxazole
SMILESCCC1CC(n2cncn2)=NO1
InChIInChI=1S/C7H10N4O/c1-2-6-3-7(10-12-6)11-5-8-4-9-11/h4-6H,2-3H2,1H3
InChIKeyRCBSTHLAILJGIP-UHFFFAOYSA-N
XLogP0.64
TPSA52.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-(1,2,4-triazol-1-yl)-4,5-dihydro-1,2-oxazole?
The IUPAC name of 5-ethyl-3-(1,2,4-triazol-1-yl)-4,5-dihydro-1,2-oxazole (CID 163393821) is 5-ethyl-3-(1,2,4-triazol-1-yl)-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 5-ethyl-3-(1,2,4-triazol-1-yl)-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 5-ethyl-3-(1,2,4-triazol-1-yl)-4,5-dihydro-1,2-oxazole is CCC1CC(n2cncn2)=NO1.
What is the InChIKey of 5-ethyl-3-(1,2,4-triazol-1-yl)-4,5-dihydro-1,2-oxazole?
The InChIKey is RCBSTHLAILJGIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O/c1-2-6-3-7(10-12-6)11-5-8-4-9-11/h4-6H,2-3H2,1H3.
What are the key properties of 5-ethyl-3-(1,2,4-triazol-1-yl)-4,5-dihydro-1,2-oxazole?
5-ethyl-3-(1,2,4-triazol-1-yl)-4,5-dihydro-1,2-oxazole has a molecular weight of 166.18 g/mol, XLogP of 0.64, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-(1,2,4-triazol-1-yl)-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 163393821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).