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

C5H6N4O — CID 174050882

IUPAC3-(triazol-2-yl)-4,5-dihydro-1,2-oxazole
SMILESc1cnn(C2=NOCC2)n1
InChIInChI=1S/C5H6N4O/c1-4-10-8-5(1)9-6-2-3-7-9/h2-3H,1,4H2
InChIKeyLCYLESQEZXRHJF-UHFFFAOYSA-N
MW138.13 g/mol
LogP-0.14
Rot. Bonds

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

3-(triazol-2-yl)-4,5-dihydro-1,2-oxazole (PubChem CID 174050882) has the molecular formula C5H6N4O and a molecular weight of 138.13 g/mol. Its IUPAC name is 3-(triazol-2-yl)-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name3-(triazol-2-yl)-4,5-dihydro-1,2-oxazole
PubChem CID174050882
Molecular FormulaC5H6N4O
Molecular Weight138.13 g/mol
Exact Mass138.05
IUPAC Name3-(triazol-2-yl)-4,5-dihydro-1,2-oxazole
SMILESc1cnn(C2=NOCC2)n1
InChIInChI=1S/C5H6N4O/c1-4-10-8-5(1)9-6-2-3-7-9/h2-3H,1,4H2
InChIKeyLCYLESQEZXRHJF-UHFFFAOYSA-N
XLogP-0.14
TPSA52.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.13
LogP ≤ 5-0.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(triazol-2-yl)-4,5-dihydro-1,2-oxazole?
The IUPAC name of 3-(triazol-2-yl)-4,5-dihydro-1,2-oxazole (CID 174050882) is 3-(triazol-2-yl)-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 3-(triazol-2-yl)-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 3-(triazol-2-yl)-4,5-dihydro-1,2-oxazole is c1cnn(C2=NOCC2)n1.
What is the InChIKey of 3-(triazol-2-yl)-4,5-dihydro-1,2-oxazole?
The InChIKey is LCYLESQEZXRHJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N4O/c1-4-10-8-5(1)9-6-2-3-7-9/h2-3H,1,4H2.
What are the key properties of 3-(triazol-2-yl)-4,5-dihydro-1,2-oxazole?
3-(triazol-2-yl)-4,5-dihydro-1,2-oxazole has a molecular weight of 138.13 g/mol, XLogP of -0.14, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(triazol-2-yl)-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 174050882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).