2,5-dimethyl-2-(1H-pyrazol-5-yl)-1,4-oxazine

C9H11N3O — CID 174719068

IUPAC2,5-dimethyl-2-(1H-pyrazol-5-yl)-1,4-oxazine
SMILESCC1=COC(C)(c2ccn[nH]2)C=N1
InChIInChI=1S/C9H11N3O/c1-7-5-13-9(2,6-10-7)8-3-4-11-12-8/h3-6H,1-2H3,(H,11,12)
InChIKeyMFOZYRYSECJXIT-UHFFFAOYSA-N
MW177.21 g/mol
LogP1.59
Rot. Bonds1

About 2,5-dimethyl-2-(1H-pyrazol-5-yl)-1,4-oxazine

2,5-dimethyl-2-(1H-pyrazol-5-yl)-1,4-oxazine (PubChem CID 174719068) has the molecular formula C9H11N3O and a molecular weight of 177.21 g/mol. Its IUPAC name is 2,5-dimethyl-2-(1H-pyrazol-5-yl)-1,4-oxazine.

Molecular Properties

Compound Name2,5-dimethyl-2-(1H-pyrazol-5-yl)-1,4-oxazine
PubChem CID174719068
Molecular FormulaC9H11N3O
Molecular Weight177.21 g/mol
Exact Mass177.09
IUPAC Name2,5-dimethyl-2-(1H-pyrazol-5-yl)-1,4-oxazine
SMILESCC1=COC(C)(c2ccn[nH]2)C=N1
InChIInChI=1S/C9H11N3O/c1-7-5-13-9(2,6-10-7)8-3-4-11-12-8/h3-6H,1-2H3,(H,11,12)
InChIKeyMFOZYRYSECJXIT-UHFFFAOYSA-N
XLogP1.59
TPSA50.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-2-(1H-pyrazol-5-yl)-1,4-oxazine?
The IUPAC name of 2,5-dimethyl-2-(1H-pyrazol-5-yl)-1,4-oxazine (CID 174719068) is 2,5-dimethyl-2-(1H-pyrazol-5-yl)-1,4-oxazine.
What is the SMILES notation for 2,5-dimethyl-2-(1H-pyrazol-5-yl)-1,4-oxazine?
The canonical SMILES for 2,5-dimethyl-2-(1H-pyrazol-5-yl)-1,4-oxazine is CC1=COC(C)(c2ccn[nH]2)C=N1.
What is the InChIKey of 2,5-dimethyl-2-(1H-pyrazol-5-yl)-1,4-oxazine?
The InChIKey is MFOZYRYSECJXIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O/c1-7-5-13-9(2,6-10-7)8-3-4-11-12-8/h3-6H,1-2H3,(H,11,12).
What are the key properties of 2,5-dimethyl-2-(1H-pyrazol-5-yl)-1,4-oxazine?
2,5-dimethyl-2-(1H-pyrazol-5-yl)-1,4-oxazine has a molecular weight of 177.21 g/mol, XLogP of 1.59, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-2-(1H-pyrazol-5-yl)-1,4-oxazine is sourced from PubChem (CID 174719068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).