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

C12H10N4O2 — CID 62920980

IUPAC3-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]phenol
SMILESCn1nccc1-c1nc(-c2cccc(O)c2)no1
InChIInChI=1S/C12H10N4O2/c1-16-10(5-6-13-16)12-14-11(15-18-12)8-3-2-4-9(17)7-8/h2-7,17H,1H3
InChIKeyLBZSWFFUCUHQPE-UHFFFAOYSA-N
MW242.24 g/mol
LogP1.84
Rot. Bonds2

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

3-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]phenol (PubChem CID 62920980) has the molecular formula C12H10N4O2 and a molecular weight of 242.24 g/mol. Its IUPAC name is 3-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]phenol.

Molecular Properties

Compound Name3-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]phenol
PubChem CID62920980
Molecular FormulaC12H10N4O2
Molecular Weight242.24 g/mol
Exact Mass242.08
IUPAC Name3-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]phenol
SMILESCn1nccc1-c1nc(-c2cccc(O)c2)no1
InChIInChI=1S/C12H10N4O2/c1-16-10(5-6-13-16)12-14-11(15-18-12)8-3-2-4-9(17)7-8/h2-7,17H,1H3
InChIKeyLBZSWFFUCUHQPE-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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Related Compounds

5-(2-methylphenyl)-3-[3-(2-methylpyrazol-3-yl)phenyl]-1,2,4-oxadiazole
CID 53138468
4-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]aniline
CID 62920467
3-[3-(2-methylpyrazol-3-yl)phenyl]-5-(5-methylthiophen-2-yl)-1,2,4-oxadiazole
CID 53138490
5-(3,4-dimethoxyphenyl)-3-[3-(2-methylpyrazol-3-yl)phenyl]-1,2,4-oxadiazole
CID 53138515
2-[3-(3-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136809760
3-[5-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-3-yl]phenol
CID 43120309
3-[5-(5-methyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]phenol
CID 43120312
3-[5-(2-amino-1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]phenol
CID 107921126
3-(5-thieno[3,2-b]thiophen-5-yl-1,2,4-oxadiazol-3-yl)phenol
CID 78960928
3-[5-(methylamino)-1,2,4-oxadiazol-3-yl]phenol
CID 107921953
5-(3,4-diethoxyphenyl)-3-[3-(2-methylpyrazol-3-yl)phenyl]-1,2,4-oxadiazole
CID 53138486
2-amino-4-[3-(3-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136888758

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]phenol?
The IUPAC name of 3-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]phenol (CID 62920980) is 3-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]phenol.
What is the SMILES notation for 3-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]phenol?
The canonical SMILES for 3-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]phenol is Cn1nccc1-c1nc(-c2cccc(O)c2)no1.
What is the InChIKey of 3-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]phenol?
The InChIKey is LBZSWFFUCUHQPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O2/c1-16-10(5-6-13-16)12-14-11(15-18-12)8-3-2-4-9(17)7-8/h2-7,17H,1H3.
What are the key properties of 3-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]phenol?
3-[5-(2-methylpyrazol-3-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 3-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]phenol is sourced from PubChem (CID 62920980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).