4-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]phenol

C12H10N4O2 — CID 135966775

IUPAC4-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]phenol
SMILESCn1cc(-c2nc(-c3ccc(O)cc3)no2)cn1
InChIInChI=1S/C12H10N4O2/c1-16-7-9(6-13-16)12-14-11(15-18-12)8-2-4-10(17)5-3-8/h2-7,17H,1H3
InChIKeyNOVSLZKHDRFWQG-UHFFFAOYSA-N
MW242.24 g/mol
LogP1.84
Rot. Bonds2

About 4-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]phenol

4-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]phenol (PubChem CID 135966775) has the molecular formula C12H10N4O2 and a molecular weight of 242.24 g/mol. Its IUPAC name is 4-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]phenol.

Molecular Properties

Compound Name4-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]phenol
PubChem CID135966775
Molecular FormulaC12H10N4O2
Molecular Weight242.24 g/mol
Exact Mass242.08
IUPAC Name4-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]phenol
SMILESCn1cc(-c2nc(-c3ccc(O)cc3)no2)cn1
InChIInChI=1S/C12H10N4O2/c1-16-7-9(6-13-16)12-14-11(15-18-12)8-2-4-10(17)5-3-8/h2-7,17H,1H3
InChIKeyNOVSLZKHDRFWQG-UHFFFAOYSA-N
XLogP1.84
TPSA76.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]phenol?
The IUPAC name of 4-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]phenol (CID 135966775) is 4-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]phenol.
What is the SMILES notation for 4-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]phenol?
The canonical SMILES for 4-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]phenol is Cn1cc(-c2nc(-c3ccc(O)cc3)no2)cn1.
What is the InChIKey of 4-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]phenol?
The InChIKey is NOVSLZKHDRFWQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O2/c1-16-7-9(6-13-16)12-14-11(15-18-12)8-2-4-10(17)5-3-8/h2-7,17H,1H3.
What are the key properties of 4-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]phenol?
4-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]phenol has a molecular weight of 242.24 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]phenol is sourced from PubChem (CID 135966775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).