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

C13H12N4O2 — CID 65199728

IUPAC4-[[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]phenol
SMILESCn1ccc(-c2noc(Cc3ccc(O)cc3)n2)n1
InChIInChI=1S/C13H12N4O2/c1-17-7-6-11(15-17)13-14-12(19-16-13)8-9-2-4-10(18)5-3-9/h2-7,18H,8H2,1H3
InChIKeyIHHBZFJKIPUAKF-UHFFFAOYSA-N
MW256.26 g/mol
LogP1.77
Rot. Bonds3

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

4-[[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]phenol (PubChem CID 65199728) has the molecular formula C13H12N4O2 and a molecular weight of 256.26 g/mol. Its IUPAC name is 4-[[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]phenol.

Molecular Properties

Compound Name4-[[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]phenol
PubChem CID65199728
Molecular FormulaC13H12N4O2
Molecular Weight256.26 g/mol
Exact Mass256.10
IUPAC Name4-[[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]phenol
SMILESCn1ccc(-c2noc(Cc3ccc(O)cc3)n2)n1
InChIInChI=1S/C13H12N4O2/c1-17-7-6-11(15-17)13-14-12(19-16-13)8-9-2-4-10(18)5-3-9/h2-7,18H,8H2,1H3
InChIKeyIHHBZFJKIPUAKF-UHFFFAOYSA-N
XLogP1.77
TPSA76.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]phenol?
The IUPAC name of 4-[[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]phenol (CID 65199728) is 4-[[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]phenol.
What is the SMILES notation for 4-[[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]phenol?
The canonical SMILES for 4-[[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]phenol is Cn1ccc(-c2noc(Cc3ccc(O)cc3)n2)n1.
What is the InChIKey of 4-[[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]phenol?
The InChIKey is IHHBZFJKIPUAKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O2/c1-17-7-6-11(15-17)13-14-12(19-16-13)8-9-2-4-10(18)5-3-9/h2-7,18H,8H2,1H3.
What are the key properties of 4-[[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]phenol?
4-[[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]phenol has a molecular weight of 256.26 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]phenol is sourced from PubChem (CID 65199728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).