2-[5-fluoro-2-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylamino]phenoxy]ethanol

C18H18FN3O4 — CID 47090360

IUPAC2-[5-fluoro-2-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylamino]phenoxy]ethanol
SMILESCOc1ccccc1-c1noc(CNc2ccc(F)cc2OCCO)n1
InChIInChI=1S/C18H18FN3O4/c1-24-15-5-3-2-4-13(15)18-21-17(26-22-18)11-20-14-7-6-12(19)10-16(14)25-9-8-23/h2-7,10,20,23H,8-9,11H2,1H3
InChIKeyPRHJQPNTRBFSMH-UHFFFAOYSA-N
MW359.36 g/mol
LogP2.87
Rot. Bonds8

About 2-[5-fluoro-2-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylamino]phenoxy]ethanol

2-[5-fluoro-2-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylamino]phenoxy]ethanol (PubChem CID 47090360) has the molecular formula C18H18FN3O4 and a molecular weight of 359.36 g/mol. Its IUPAC name is 2-[5-fluoro-2-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylamino]phenoxy]ethanol.

Molecular Properties

Compound Name2-[5-fluoro-2-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylamino]phenoxy]ethanol
PubChem CID47090360
Molecular FormulaC18H18FN3O4
Molecular Weight359.36 g/mol
Exact Mass359.13
IUPAC Name2-[5-fluoro-2-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylamino]phenoxy]ethanol
SMILESCOc1ccccc1-c1noc(CNc2ccc(F)cc2OCCO)n1
InChIInChI=1S/C18H18FN3O4/c1-24-15-5-3-2-4-13(15)18-21-17(26-22-18)11-20-14-7-6-12(19)10-16(14)25-9-8-23/h2-7,10,20,23H,8-9,11H2,1H3
InChIKeyPRHJQPNTRBFSMH-UHFFFAOYSA-N
XLogP2.87
TPSA89.64 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.36
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[5-fluoro-2-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylamino]phenoxy]ethanol?
The IUPAC name of 2-[5-fluoro-2-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylamino]phenoxy]ethanol (CID 47090360) is 2-[5-fluoro-2-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylamino]phenoxy]ethanol.
What is the SMILES notation for 2-[5-fluoro-2-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylamino]phenoxy]ethanol?
The canonical SMILES for 2-[5-fluoro-2-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylamino]phenoxy]ethanol is COc1ccccc1-c1noc(CNc2ccc(F)cc2OCCO)n1.
What is the InChIKey of 2-[5-fluoro-2-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylamino]phenoxy]ethanol?
The InChIKey is PRHJQPNTRBFSMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O4/c1-24-15-5-3-2-4-13(15)18-21-17(26-22-18)11-20-14-7-6-12(19)10-16(14)25-9-8-23/h2-7,10,20,23H,8-9,11H2,1H3.
What are the key properties of 2-[5-fluoro-2-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylamino]phenoxy]ethanol?
2-[5-fluoro-2-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylamino]phenoxy]ethanol has a molecular weight of 359.36 g/mol, XLogP of 2.87, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-fluoro-2-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylamino]phenoxy]ethanol is sourced from PubChem (CID 47090360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).