[5-(1-methylpyrazol-4-yl)-1,3-oxazol-4-yl]methanol

C8H9N3O2 — CID 79145423

IUPAC[5-(1-methylpyrazol-4-yl)-1,3-oxazol-4-yl]methanol
SMILESCn1cc(-c2ocnc2CO)cn1
InChIInChI=1S/C8H9N3O2/c1-11-3-6(2-10-11)8-7(4-12)9-5-13-8/h2-3,5,12H,4H2,1H3
InChIKeyJBUDIUIAVCSBBF-UHFFFAOYSA-N
MW179.18 g/mol
LogP0.57
Rot. Bonds2

About [5-(1-methylpyrazol-4-yl)-1,3-oxazol-4-yl]methanol

[5-(1-methylpyrazol-4-yl)-1,3-oxazol-4-yl]methanol (PubChem CID 79145423) has the molecular formula C8H9N3O2 and a molecular weight of 179.18 g/mol. Its IUPAC name is [5-(1-methylpyrazol-4-yl)-1,3-oxazol-4-yl]methanol.

Molecular Properties

Compound Name[5-(1-methylpyrazol-4-yl)-1,3-oxazol-4-yl]methanol
PubChem CID79145423
Molecular FormulaC8H9N3O2
Molecular Weight179.18 g/mol
Exact Mass179.07
IUPAC Name[5-(1-methylpyrazol-4-yl)-1,3-oxazol-4-yl]methanol
SMILESCn1cc(-c2ocnc2CO)cn1
InChIInChI=1S/C8H9N3O2/c1-11-3-6(2-10-11)8-7(4-12)9-5-13-8/h2-3,5,12H,4H2,1H3
InChIKeyJBUDIUIAVCSBBF-UHFFFAOYSA-N
XLogP0.57
TPSA64.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.18
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-(1-methylpyrazol-4-yl)-1,3-oxazol-4-yl]methanol?
The IUPAC name of [5-(1-methylpyrazol-4-yl)-1,3-oxazol-4-yl]methanol (CID 79145423) is [5-(1-methylpyrazol-4-yl)-1,3-oxazol-4-yl]methanol.
What is the SMILES notation for [5-(1-methylpyrazol-4-yl)-1,3-oxazol-4-yl]methanol?
The canonical SMILES for [5-(1-methylpyrazol-4-yl)-1,3-oxazol-4-yl]methanol is Cn1cc(-c2ocnc2CO)cn1.
What is the InChIKey of [5-(1-methylpyrazol-4-yl)-1,3-oxazol-4-yl]methanol?
The InChIKey is JBUDIUIAVCSBBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O2/c1-11-3-6(2-10-11)8-7(4-12)9-5-13-8/h2-3,5,12H,4H2,1H3.
What are the key properties of [5-(1-methylpyrazol-4-yl)-1,3-oxazol-4-yl]methanol?
[5-(1-methylpyrazol-4-yl)-1,3-oxazol-4-yl]methanol has a molecular weight of 179.18 g/mol, XLogP of 0.57, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(1-methylpyrazol-4-yl)-1,3-oxazol-4-yl]methanol is sourced from PubChem (CID 79145423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).