[3-[1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethylamino]phenyl]methanol

C18H18FN3O2 — CID 110900364

IUPAC[3-[1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethylamino]phenyl]methanol
SMILESCc1cc(-c2noc(C(C)Nc3cccc(CO)c3)n2)ccc1F
InChIInChI=1S/C18H18FN3O2/c1-11-8-14(6-7-16(11)19)17-21-18(24-22-17)12(2)20-15-5-3-4-13(9-15)10-23/h3-9,12,20,23H,10H2,1-2H3
InChIKeyYGJNJBDCHNAFCO-UHFFFAOYSA-N
MW327.36 g/mol
LogP3.85
Rot. Bonds5

About [3-[1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethylamino]phenyl]methanol

[3-[1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethylamino]phenyl]methanol (PubChem CID 110900364) has the molecular formula C18H18FN3O2 and a molecular weight of 327.36 g/mol. Its IUPAC name is [3-[1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethylamino]phenyl]methanol.

Molecular Properties

Compound Name[3-[1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethylamino]phenyl]methanol
PubChem CID110900364
Molecular FormulaC18H18FN3O2
Molecular Weight327.36 g/mol
Exact Mass327.14
IUPAC Name[3-[1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethylamino]phenyl]methanol
SMILESCc1cc(-c2noc(C(C)Nc3cccc(CO)c3)n2)ccc1F
InChIInChI=1S/C18H18FN3O2/c1-11-8-14(6-7-16(11)19)17-21-18(24-22-17)12(2)20-15-5-3-4-13(9-15)10-23/h3-9,12,20,23H,10H2,1-2H3
InChIKeyYGJNJBDCHNAFCO-UHFFFAOYSA-N
XLogP3.85
TPSA71.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-[1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethylamino]phenyl]methanol?
The IUPAC name of [3-[1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethylamino]phenyl]methanol (CID 110900364) is [3-[1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethylamino]phenyl]methanol.
What is the SMILES notation for [3-[1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethylamino]phenyl]methanol?
The canonical SMILES for [3-[1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethylamino]phenyl]methanol is Cc1cc(-c2noc(C(C)Nc3cccc(CO)c3)n2)ccc1F.
What is the InChIKey of [3-[1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethylamino]phenyl]methanol?
The InChIKey is YGJNJBDCHNAFCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O2/c1-11-8-14(6-7-16(11)19)17-21-18(24-22-17)12(2)20-15-5-3-4-13(9-15)10-23/h3-9,12,20,23H,10H2,1-2H3.
What are the key properties of [3-[1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethylamino]phenyl]methanol?
[3-[1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethylamino]phenyl]methanol has a molecular weight of 327.36 g/mol, XLogP of 3.85, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethylamino]phenyl]methanol is sourced from PubChem (CID 110900364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).