(1R)-1-[2-fluoro-4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanol

C14H17FN2O3 — CID 107719931

IUPAC(1R)-1-[2-fluoro-4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanol
SMILESCC(C)c1nc(COc2ccc([C@@H](C)O)c(F)c2)no1
InChIInChI=1S/C14H17FN2O3/c1-8(2)14-16-13(17-20-14)7-19-10-4-5-11(9(3)18)12(15)6-10/h4-6,8-9,18H,7H2,1-3H3/t9-/m1/s1
InChIKeyRGTAAORYYDGKQI-SECBINFHSA-N
MW280.30 g/mol
LogP2.96
Rot. Bonds5

About (1R)-1-[2-fluoro-4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanol

(1R)-1-[2-fluoro-4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanol (PubChem CID 107719931) has the molecular formula C14H17FN2O3 and a molecular weight of 280.30 g/mol. Its IUPAC name is (1R)-1-[2-fluoro-4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[2-fluoro-4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanol
PubChem CID107719931
Molecular FormulaC14H17FN2O3
Molecular Weight280.30 g/mol
Exact Mass280.12
IUPAC Name(1R)-1-[2-fluoro-4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanol
SMILESCC(C)c1nc(COc2ccc([C@@H](C)O)c(F)c2)no1
InChIInChI=1S/C14H17FN2O3/c1-8(2)14-16-13(17-20-14)7-19-10-4-5-11(9(3)18)12(15)6-10/h4-6,8-9,18H,7H2,1-3H3/t9-/m1/s1
InChIKeyRGTAAORYYDGKQI-SECBINFHSA-N
XLogP2.96
TPSA68.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (1R)-1-[2-fluoro-4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanol with MolForge

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Related Compounds

(1S)-1-[2-fluoro-4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine
CID 107718894
(1R)-1-[2-fluoro-4-(pyrimidin-2-ylmethoxy)phenyl]ethanol
CID 107720035
(1R)-1-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanol
CID 78930415
(1S)-1-[4-methyl-2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanol
CID 63650770
5-propan-2-yl-3-[(4-propan-2-ylphenoxy)methyl]-1,2,4-oxadiazole
CID 63362147
(1S)-1-[2-fluoro-4-[(6-methyl-2-pyridinyl)methoxy]phenyl]ethanol
CID 107720712
(1R)-1-[2-fluoro-4-[(4-methoxyphenyl)methoxy]phenyl]ethanol
CID 107720145
3-[(3,5-dimethylphenoxy)methyl]-5-propan-2-yl-1,2,4-oxadiazole
CID 63362112
(1R)-1-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine
CID 78933139
(1S)-1-[2-fluoro-4-[(4-iodophenyl)methoxy]phenyl]ethanol
CID 107720343
(1S)-1-[4-fluoro-2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine
CID 78935724
(1R)-1-[3-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine
CID 55188676

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-fluoro-4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanol?
The IUPAC name of (1R)-1-[2-fluoro-4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanol (CID 107719931) is (1R)-1-[2-fluoro-4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanol.
What is the SMILES notation for (1R)-1-[2-fluoro-4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanol?
The canonical SMILES for (1R)-1-[2-fluoro-4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanol is CC(C)c1nc(COc2ccc([C@@H](C)O)c(F)c2)no1.
What is the InChIKey of (1R)-1-[2-fluoro-4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanol?
The InChIKey is RGTAAORYYDGKQI-SECBINFHSA-N. The full InChI is InChI=1S/C14H17FN2O3/c1-8(2)14-16-13(17-20-14)7-19-10-4-5-11(9(3)18)12(15)6-10/h4-6,8-9,18H,7H2,1-3H3/t9-/m1/s1.
What are the key properties of (1R)-1-[2-fluoro-4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanol?
(1R)-1-[2-fluoro-4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanol has a molecular weight of 280.30 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-fluoro-4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanol is sourced from PubChem (CID 107719931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).