[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-3,5-difluorophenyl]methanol

C13H12F2N2O3 — CID 79887566

IUPAC[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-3,5-difluorophenyl]methanol
SMILESOCc1cc(F)c(OCc2noc(C3CC3)n2)c(F)c1
InChIInChI=1S/C13H12F2N2O3/c14-9-3-7(5-18)4-10(15)12(9)19-6-11-16-13(20-17-11)8-1-2-8/h3-4,8,18H,1-2,5-6H2
InChIKeyRUEVRTIRLUVJRK-UHFFFAOYSA-N
MW282.25 g/mol
LogP2.30
Rot. Bonds5

About [4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-3,5-difluorophenyl]methanol

[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-3,5-difluorophenyl]methanol (PubChem CID 79887566) has the molecular formula C13H12F2N2O3 and a molecular weight of 282.25 g/mol. Its IUPAC name is [4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-3,5-difluorophenyl]methanol.

Molecular Properties

Compound Name[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-3,5-difluorophenyl]methanol
PubChem CID79887566
Molecular FormulaC13H12F2N2O3
Molecular Weight282.25 g/mol
Exact Mass282.08
IUPAC Name[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-3,5-difluorophenyl]methanol
SMILESOCc1cc(F)c(OCc2noc(C3CC3)n2)c(F)c1
InChIInChI=1S/C13H12F2N2O3/c14-9-3-7(5-18)4-10(15)12(9)19-6-11-16-13(20-17-11)8-1-2-8/h3-4,8,18H,1-2,5-6H2
InChIKeyRUEVRTIRLUVJRK-UHFFFAOYSA-N
XLogP2.30
TPSA68.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.25
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-3,5-difluorophenyl]methanol?
The IUPAC name of [4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-3,5-difluorophenyl]methanol (CID 79887566) is [4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-3,5-difluorophenyl]methanol.
What is the SMILES notation for [4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-3,5-difluorophenyl]methanol?
The canonical SMILES for [4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-3,5-difluorophenyl]methanol is OCc1cc(F)c(OCc2noc(C3CC3)n2)c(F)c1.
What is the InChIKey of [4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-3,5-difluorophenyl]methanol?
The InChIKey is RUEVRTIRLUVJRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2N2O3/c14-9-3-7(5-18)4-10(15)12(9)19-6-11-16-13(20-17-11)8-1-2-8/h3-4,8,18H,1-2,5-6H2.
What are the key properties of [4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-3,5-difluorophenyl]methanol?
[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-3,5-difluorophenyl]methanol has a molecular weight of 282.25 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-3,5-difluorophenyl]methanol is sourced from PubChem (CID 79887566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).