4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]oxan-4-ol

C11H16N2O3 — CID 125454590

IUPAC4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]oxan-4-ol
SMILESOC1(Cc2nc(C3CC3)no2)CCOCC1
InChIInChI=1S/C11H16N2O3/c14-11(3-5-15-6-4-11)7-9-12-10(13-16-9)8-1-2-8/h8,14H,1-7H2
InChIKeyUDWSJWSYHGEDRG-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.03
Rot. Bonds3

About 4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]oxan-4-ol

4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]oxan-4-ol (PubChem CID 125454590) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]oxan-4-ol
PubChem CID125454590
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]oxan-4-ol
SMILESOC1(Cc2nc(C3CC3)no2)CCOCC1
InChIInChI=1S/C11H16N2O3/c14-11(3-5-15-6-4-11)7-9-12-10(13-16-9)8-1-2-8/h8,14H,1-7H2
InChIKeyUDWSJWSYHGEDRG-UHFFFAOYSA-N
XLogP1.03
TPSA68.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]oxan-4-ol?
The IUPAC name of 4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]oxan-4-ol (CID 125454590) is 4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]oxan-4-ol.
What is the SMILES notation for 4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]oxan-4-ol?
The canonical SMILES for 4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]oxan-4-ol is OC1(Cc2nc(C3CC3)no2)CCOCC1.
What is the InChIKey of 4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]oxan-4-ol?
The InChIKey is UDWSJWSYHGEDRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c14-11(3-5-15-6-4-11)7-9-12-10(13-16-9)8-1-2-8/h8,14H,1-7H2.
What are the key properties of 4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]oxan-4-ol?
4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]oxan-4-ol has a molecular weight of 224.26 g/mol, XLogP of 1.03, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]oxan-4-ol is sourced from PubChem (CID 125454590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).