2-[5-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]ethanol

C11H14N4O3 — CID 72850506

IUPAC2-[5-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]ethanol
SMILESOCCn1nccc1-c1nc(C2CCOC2)no1
InChIInChI=1S/C11H14N4O3/c16-5-4-15-9(1-3-12-15)11-13-10(14-18-11)8-2-6-17-7-8/h1,3,8,16H,2,4-7H2
InChIKeySWNWMLXUPLUBKE-UHFFFAOYSA-N
MW250.26 g/mol
LogP0.43
Rot. Bonds4

About 2-[5-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]ethanol

2-[5-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]ethanol (PubChem CID 72850506) has the molecular formula C11H14N4O3 and a molecular weight of 250.26 g/mol. Its IUPAC name is 2-[5-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[5-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]ethanol
PubChem CID72850506
Molecular FormulaC11H14N4O3
Molecular Weight250.26 g/mol
Exact Mass250.11
IUPAC Name2-[5-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]ethanol
SMILESOCCn1nccc1-c1nc(C2CCOC2)no1
InChIInChI=1S/C11H14N4O3/c16-5-4-15-9(1-3-12-15)11-13-10(14-18-11)8-2-6-17-7-8/h1,3,8,16H,2,4-7H2
InChIKeySWNWMLXUPLUBKE-UHFFFAOYSA-N
XLogP0.43
TPSA86.20 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]ethanol?
The IUPAC name of 2-[5-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]ethanol (CID 72850506) is 2-[5-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[5-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[5-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]ethanol is OCCn1nccc1-c1nc(C2CCOC2)no1.
What is the InChIKey of 2-[5-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]ethanol?
The InChIKey is SWNWMLXUPLUBKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O3/c16-5-4-15-9(1-3-12-15)11-13-10(14-18-11)8-2-6-17-7-8/h1,3,8,16H,2,4-7H2.
What are the key properties of 2-[5-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]ethanol?
2-[5-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]ethanol has a molecular weight of 250.26 g/mol, XLogP of 0.43, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]ethanol is sourced from PubChem (CID 72850506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).