[3-[5-[(3,4,5-trimethylpyrazol-1-yl)methyl]-1,2,4-oxadiazol-3-yl]phenyl]methanol

C16H18N4O2 — CID 29184127

IUPAC[3-[5-[(3,4,5-trimethylpyrazol-1-yl)methyl]-1,2,4-oxadiazol-3-yl]phenyl]methanol
SMILESCc1nn(Cc2nc(-c3cccc(CO)c3)no2)c(C)c1C
InChIInChI=1S/C16H18N4O2/c1-10-11(2)18-20(12(10)3)8-15-17-16(19-22-15)14-6-4-5-13(7-14)9-21/h4-7,21H,8-9H2,1-3H3
InChIKeyJQQSEBSOZDJCLS-UHFFFAOYSA-N
MW298.35 g/mol
LogP2.40
Rot. Bonds4

About [3-[5-[(3,4,5-trimethylpyrazol-1-yl)methyl]-1,2,4-oxadiazol-3-yl]phenyl]methanol

[3-[5-[(3,4,5-trimethylpyrazol-1-yl)methyl]-1,2,4-oxadiazol-3-yl]phenyl]methanol (PubChem CID 29184127) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is [3-[5-[(3,4,5-trimethylpyrazol-1-yl)methyl]-1,2,4-oxadiazol-3-yl]phenyl]methanol.

Molecular Properties

Compound Name[3-[5-[(3,4,5-trimethylpyrazol-1-yl)methyl]-1,2,4-oxadiazol-3-yl]phenyl]methanol
PubChem CID29184127
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC Name[3-[5-[(3,4,5-trimethylpyrazol-1-yl)methyl]-1,2,4-oxadiazol-3-yl]phenyl]methanol
SMILESCc1nn(Cc2nc(-c3cccc(CO)c3)no2)c(C)c1C
InChIInChI=1S/C16H18N4O2/c1-10-11(2)18-20(12(10)3)8-15-17-16(19-22-15)14-6-4-5-13(7-14)9-21/h4-7,21H,8-9H2,1-3H3
InChIKeyJQQSEBSOZDJCLS-UHFFFAOYSA-N
XLogP2.40
TPSA76.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-[5-[(3,4,5-trimethylpyrazol-1-yl)methyl]-1,2,4-oxadiazol-3-yl]phenyl]methanol?
The IUPAC name of [3-[5-[(3,4,5-trimethylpyrazol-1-yl)methyl]-1,2,4-oxadiazol-3-yl]phenyl]methanol (CID 29184127) is [3-[5-[(3,4,5-trimethylpyrazol-1-yl)methyl]-1,2,4-oxadiazol-3-yl]phenyl]methanol.
What is the SMILES notation for [3-[5-[(3,4,5-trimethylpyrazol-1-yl)methyl]-1,2,4-oxadiazol-3-yl]phenyl]methanol?
The canonical SMILES for [3-[5-[(3,4,5-trimethylpyrazol-1-yl)methyl]-1,2,4-oxadiazol-3-yl]phenyl]methanol is Cc1nn(Cc2nc(-c3cccc(CO)c3)no2)c(C)c1C.
What is the InChIKey of [3-[5-[(3,4,5-trimethylpyrazol-1-yl)methyl]-1,2,4-oxadiazol-3-yl]phenyl]methanol?
The InChIKey is JQQSEBSOZDJCLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c1-10-11(2)18-20(12(10)3)8-15-17-16(19-22-15)14-6-4-5-13(7-14)9-21/h4-7,21H,8-9H2,1-3H3.
What are the key properties of [3-[5-[(3,4,5-trimethylpyrazol-1-yl)methyl]-1,2,4-oxadiazol-3-yl]phenyl]methanol?
[3-[5-[(3,4,5-trimethylpyrazol-1-yl)methyl]-1,2,4-oxadiazol-3-yl]phenyl]methanol has a molecular weight of 298.35 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[5-[(3,4,5-trimethylpyrazol-1-yl)methyl]-1,2,4-oxadiazol-3-yl]phenyl]methanol is sourced from PubChem (CID 29184127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).