4,5-dihydro-1H-pyrazolo[4,5-d][1,3]oxazole

C4H5N3O — CID 170276424

IUPAC4,5-dihydro-1H-pyrazolo[4,5-d][1,3]oxazole
SMILESc1n[nH]c2c1NCO2
InChIInChI=1S/C4H5N3O/c1-3-4(7-6-1)8-2-5-3/h1,5H,2H2,(H,6,7)
InChIKeyIMTOPXRFRLMLGH-UHFFFAOYSA-N
MW111.10 g/mol
LogP0.17
Rot. Bonds

About 4,5-dihydro-1H-pyrazolo[4,5-d][1,3]oxazole

4,5-dihydro-1H-pyrazolo[4,5-d][1,3]oxazole (PubChem CID 170276424) has the molecular formula C4H5N3O and a molecular weight of 111.10 g/mol. Its IUPAC name is 4,5-dihydro-1H-pyrazolo[4,5-d][1,3]oxazole.

Molecular Properties

Compound Name4,5-dihydro-1H-pyrazolo[4,5-d][1,3]oxazole
PubChem CID170276424
Molecular FormulaC4H5N3O
Molecular Weight111.10 g/mol
Exact Mass111.04
IUPAC Name4,5-dihydro-1H-pyrazolo[4,5-d][1,3]oxazole
SMILESc1n[nH]c2c1NCO2
InChIInChI=1S/C4H5N3O/c1-3-4(7-6-1)8-2-5-3/h1,5H,2H2,(H,6,7)
InChIKeyIMTOPXRFRLMLGH-UHFFFAOYSA-N
XLogP0.17
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.10
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,5-dihydro-1H-pyrazolo[4,5-d][1,3]oxazole?
The IUPAC name of 4,5-dihydro-1H-pyrazolo[4,5-d][1,3]oxazole (CID 170276424) is 4,5-dihydro-1H-pyrazolo[4,5-d][1,3]oxazole.
What is the SMILES notation for 4,5-dihydro-1H-pyrazolo[4,5-d][1,3]oxazole?
The canonical SMILES for 4,5-dihydro-1H-pyrazolo[4,5-d][1,3]oxazole is c1n[nH]c2c1NCO2.
What is the InChIKey of 4,5-dihydro-1H-pyrazolo[4,5-d][1,3]oxazole?
The InChIKey is IMTOPXRFRLMLGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N3O/c1-3-4(7-6-1)8-2-5-3/h1,5H,2H2,(H,6,7).
What are the key properties of 4,5-dihydro-1H-pyrazolo[4,5-d][1,3]oxazole?
4,5-dihydro-1H-pyrazolo[4,5-d][1,3]oxazole has a molecular weight of 111.10 g/mol, XLogP of 0.17, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihydro-1H-pyrazolo[4,5-d][1,3]oxazole is sourced from PubChem (CID 170276424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).