3-ethyl-1,2-oxazole;1H-pyrazole

C8H11N3O — CID 157228565

IUPAC3-ethyl-1,2-oxazole;1H-pyrazole
SMILESCCc1ccon1.c1cn[nH]c1
InChIInChI=1S/C5H7NO.C3H4N2/c1-2-5-3-4-7-6-5;1-2-4-5-3-1/h3-4H,2H2,1H3;1-3H,(H,4,5)
InChIKeyATVNFCPDVIWQQR-UHFFFAOYSA-N
MW165.20 g/mol
LogP1.65
Rot. Bonds1

About 3-ethyl-1,2-oxazole;1H-pyrazole

3-ethyl-1,2-oxazole;1H-pyrazole (PubChem CID 157228565) has the molecular formula C8H11N3O and a molecular weight of 165.20 g/mol. Its IUPAC name is 3-ethyl-1,2-oxazole;1H-pyrazole.

Molecular Properties

Compound Name3-ethyl-1,2-oxazole;1H-pyrazole
PubChem CID157228565
Molecular FormulaC8H11N3O
Molecular Weight165.20 g/mol
Exact Mass165.09
IUPAC Name3-ethyl-1,2-oxazole;1H-pyrazole
SMILESCCc1ccon1.c1cn[nH]c1
InChIInChI=1S/C5H7NO.C3H4N2/c1-2-5-3-4-7-6-5;1-2-4-5-3-1/h3-4H,2H2,1H3;1-3H,(H,4,5)
InChIKeyATVNFCPDVIWQQR-UHFFFAOYSA-N
XLogP1.65
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.20
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1,2-oxazole;1H-pyrazole?
The IUPAC name of 3-ethyl-1,2-oxazole;1H-pyrazole (CID 157228565) is 3-ethyl-1,2-oxazole;1H-pyrazole.
What is the SMILES notation for 3-ethyl-1,2-oxazole;1H-pyrazole?
The canonical SMILES for 3-ethyl-1,2-oxazole;1H-pyrazole is CCc1ccon1.c1cn[nH]c1.
What is the InChIKey of 3-ethyl-1,2-oxazole;1H-pyrazole?
The InChIKey is ATVNFCPDVIWQQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO.C3H4N2/c1-2-5-3-4-7-6-5;1-2-4-5-3-1/h3-4H,2H2,1H3;1-3H,(H,4,5).
What are the key properties of 3-ethyl-1,2-oxazole;1H-pyrazole?
3-ethyl-1,2-oxazole;1H-pyrazole has a molecular weight of 165.20 g/mol, XLogP of 1.65, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1,2-oxazole;1H-pyrazole is sourced from PubChem (CID 157228565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).