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

C6H7N3O — CID 67120047

IUPAC3-(1H-pyrazol-5-yl)-4,5-dihydro-1,2-oxazole
SMILESc1cc(C2=NOCC2)[nH]n1
InChIInChI=1S/C6H7N3O/c1-3-7-8-5(1)6-2-4-10-9-6/h1,3H,2,4H2,(H,7,8)
InChIKeyBFSOKMKSSXDRON-UHFFFAOYSA-N
MW137.14 g/mol
LogP0.53
Rot. Bonds1

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

3-(1H-pyrazol-5-yl)-4,5-dihydro-1,2-oxazole (PubChem CID 67120047) has the molecular formula C6H7N3O and a molecular weight of 137.14 g/mol. Its IUPAC name is 3-(1H-pyrazol-5-yl)-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name3-(1H-pyrazol-5-yl)-4,5-dihydro-1,2-oxazole
PubChem CID67120047
Molecular FormulaC6H7N3O
Molecular Weight137.14 g/mol
Exact Mass137.06
IUPAC Name3-(1H-pyrazol-5-yl)-4,5-dihydro-1,2-oxazole
SMILESc1cc(C2=NOCC2)[nH]n1
InChIInChI=1S/C6H7N3O/c1-3-7-8-5(1)6-2-4-10-9-6/h1,3H,2,4H2,(H,7,8)
InChIKeyBFSOKMKSSXDRON-UHFFFAOYSA-N
XLogP0.53
TPSA50.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.14
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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3-(1H-Pyrazol-3-yl)propan-1-amine
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2,2,2-trifluoro-N-methoxy-1-(1H-pyrazol-5-yl)ethanimine
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Frequently Asked Questions

What is the IUPAC name of 3-(1H-pyrazol-5-yl)-4,5-dihydro-1,2-oxazole?
The IUPAC name of 3-(1H-pyrazol-5-yl)-4,5-dihydro-1,2-oxazole (CID 67120047) is 3-(1H-pyrazol-5-yl)-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 3-(1H-pyrazol-5-yl)-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 3-(1H-pyrazol-5-yl)-4,5-dihydro-1,2-oxazole is c1cc(C2=NOCC2)[nH]n1.
What is the InChIKey of 3-(1H-pyrazol-5-yl)-4,5-dihydro-1,2-oxazole?
The InChIKey is BFSOKMKSSXDRON-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3O/c1-3-7-8-5(1)6-2-4-10-9-6/h1,3H,2,4H2,(H,7,8).
What are the key properties of 3-(1H-pyrazol-5-yl)-4,5-dihydro-1,2-oxazole?
3-(1H-pyrazol-5-yl)-4,5-dihydro-1,2-oxazole has a molecular weight of 137.14 g/mol, XLogP of 0.53, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-pyrazol-5-yl)-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 67120047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).