2-[1-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-3,5-dimethylpyrazol-4-yl]ethanol

C17H20N4O2 — CID 75522126

IUPAC2-[1-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-3,5-dimethylpyrazol-4-yl]ethanol
SMILESCc1nn(Cc2nc(Cc3ccccc3)no2)c(C)c1CCO
InChIInChI=1S/C17H20N4O2/c1-12-15(8-9-22)13(2)21(19-12)11-17-18-16(20-23-17)10-14-6-4-3-5-7-14/h3-7,22H,8-11H2,1-2H3
InChIKeyJJEPAHQVNCCFJQ-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.06
Rot. Bonds6

About 2-[1-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-3,5-dimethylpyrazol-4-yl]ethanol

2-[1-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-3,5-dimethylpyrazol-4-yl]ethanol (PubChem CID 75522126) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is 2-[1-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-3,5-dimethylpyrazol-4-yl]ethanol.

Molecular Properties

Compound Name2-[1-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-3,5-dimethylpyrazol-4-yl]ethanol
PubChem CID75522126
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name2-[1-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-3,5-dimethylpyrazol-4-yl]ethanol
SMILESCc1nn(Cc2nc(Cc3ccccc3)no2)c(C)c1CCO
InChIInChI=1S/C17H20N4O2/c1-12-15(8-9-22)13(2)21(19-12)11-17-18-16(20-23-17)10-14-6-4-3-5-7-14/h3-7,22H,8-11H2,1-2H3
InChIKeyJJEPAHQVNCCFJQ-UHFFFAOYSA-N
XLogP2.06
TPSA76.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-3,5-dimethylpyrazol-4-yl]ethanol?
The IUPAC name of 2-[1-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-3,5-dimethylpyrazol-4-yl]ethanol (CID 75522126) is 2-[1-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-3,5-dimethylpyrazol-4-yl]ethanol.
What is the SMILES notation for 2-[1-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-3,5-dimethylpyrazol-4-yl]ethanol?
The canonical SMILES for 2-[1-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-3,5-dimethylpyrazol-4-yl]ethanol is Cc1nn(Cc2nc(Cc3ccccc3)no2)c(C)c1CCO.
What is the InChIKey of 2-[1-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-3,5-dimethylpyrazol-4-yl]ethanol?
The InChIKey is JJEPAHQVNCCFJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-12-15(8-9-22)13(2)21(19-12)11-17-18-16(20-23-17)10-14-6-4-3-5-7-14/h3-7,22H,8-11H2,1-2H3.
What are the key properties of 2-[1-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-3,5-dimethylpyrazol-4-yl]ethanol?
2-[1-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-3,5-dimethylpyrazol-4-yl]ethanol has a molecular weight of 312.37 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-3,5-dimethylpyrazol-4-yl]ethanol is sourced from PubChem (CID 75522126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).