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

C14H14N4O2 — CID 63903282

IUPAC3-[5-(2-ethyl-5-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]phenol
SMILESCCn1nc(C)cc1-c1nc(-c2cccc(O)c2)no1
InChIInChI=1S/C14H14N4O2/c1-3-18-12(7-9(2)16-18)14-15-13(17-20-14)10-5-4-6-11(19)8-10/h4-8,19H,3H2,1-2H3
InChIKeyBOUNOUDEFAZXAR-UHFFFAOYSA-N
MW270.29 g/mol
LogP2.63
Rot. Bonds3

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

3-[5-(2-ethyl-5-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]phenol (PubChem CID 63903282) has the molecular formula C14H14N4O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is 3-[5-(2-ethyl-5-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]phenol.

Molecular Properties

Compound Name3-[5-(2-ethyl-5-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]phenol
PubChem CID63903282
Molecular FormulaC14H14N4O2
Molecular Weight270.29 g/mol
Exact Mass270.11
IUPAC Name3-[5-(2-ethyl-5-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]phenol
SMILESCCn1nc(C)cc1-c1nc(-c2cccc(O)c2)no1
InChIInChI=1S/C14H14N4O2/c1-3-18-12(7-9(2)16-18)14-15-13(17-20-14)10-5-4-6-11(19)8-10/h4-8,19H,3H2,1-2H3
InChIKeyBOUNOUDEFAZXAR-UHFFFAOYSA-N
XLogP2.63
TPSA76.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-ethyl-5-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]phenol?
The IUPAC name of 3-[5-(2-ethyl-5-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]phenol (CID 63903282) is 3-[5-(2-ethyl-5-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]phenol.
What is the SMILES notation for 3-[5-(2-ethyl-5-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]phenol?
The canonical SMILES for 3-[5-(2-ethyl-5-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]phenol is CCn1nc(C)cc1-c1nc(-c2cccc(O)c2)no1.
What is the InChIKey of 3-[5-(2-ethyl-5-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]phenol?
The InChIKey is BOUNOUDEFAZXAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2/c1-3-18-12(7-9(2)16-18)14-15-13(17-20-14)10-5-4-6-11(19)8-10/h4-8,19H,3H2,1-2H3.
What are the key properties of 3-[5-(2-ethyl-5-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]phenol?
3-[5-(2-ethyl-5-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]phenol has a molecular weight of 270.29 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-ethyl-5-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]phenol is sourced from PubChem (CID 63903282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).