[4-[[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]methanol

C15H20N2O3 — CID 110906702

IUPAC[4-[[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]methanol
SMILESCC(C)CCc1noc(COc2ccc(CO)cc2)n1
InChIInChI=1S/C15H20N2O3/c1-11(2)3-8-14-16-15(20-17-14)10-19-13-6-4-12(9-18)5-7-13/h4-7,11,18H,3,8-10H2,1-2H3
InChIKeyAWYVZCIHDKASBL-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.73
Rot. Bonds7

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

[4-[[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]methanol (PubChem CID 110906702) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is [4-[[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]methanol.

Molecular Properties

Compound Name[4-[[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]methanol
PubChem CID110906702
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name[4-[[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]methanol
SMILESCC(C)CCc1noc(COc2ccc(CO)cc2)n1
InChIInChI=1S/C15H20N2O3/c1-11(2)3-8-14-16-15(20-17-14)10-19-13-6-4-12(9-18)5-7-13/h4-7,11,18H,3,8-10H2,1-2H3
InChIKeyAWYVZCIHDKASBL-UHFFFAOYSA-N
XLogP2.73
TPSA68.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]methanol?
The IUPAC name of [4-[[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]methanol (CID 110906702) is [4-[[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]methanol.
What is the SMILES notation for [4-[[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]methanol?
The canonical SMILES for [4-[[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]methanol is CC(C)CCc1noc(COc2ccc(CO)cc2)n1.
What is the InChIKey of [4-[[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]methanol?
The InChIKey is AWYVZCIHDKASBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-11(2)3-8-14-16-15(20-17-14)10-19-13-6-4-12(9-18)5-7-13/h4-7,11,18H,3,8-10H2,1-2H3.
What are the key properties of [4-[[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]methanol?
[4-[[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]methanol has a molecular weight of 276.34 g/mol, XLogP of 2.73, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]methanol is sourced from PubChem (CID 110906702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).