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

C12H13FN2O3 — CID 107720562

IUPAC(1S)-1-[2-fluoro-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanol
SMILESCc1nnc(COc2ccc([C@H](C)O)c(F)c2)o1
InChIInChI=1S/C12H13FN2O3/c1-7(16)10-4-3-9(5-11(10)13)17-6-12-15-14-8(2)18-12/h3-5,7,16H,6H2,1-2H3/t7-/m0/s1
InChIKeyIYPZXHXEZUHSEY-ZETCQYMHSA-N
MW252.24 g/mol
LogP2.15
Rot. Bonds4

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

(1S)-1-[2-fluoro-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanol (PubChem CID 107720562) has the molecular formula C12H13FN2O3 and a molecular weight of 252.24 g/mol. Its IUPAC name is (1S)-1-[2-fluoro-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[2-fluoro-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanol
PubChem CID107720562
Molecular FormulaC12H13FN2O3
Molecular Weight252.24 g/mol
Exact Mass252.09
IUPAC Name(1S)-1-[2-fluoro-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanol
SMILESCc1nnc(COc2ccc([C@H](C)O)c(F)c2)o1
InChIInChI=1S/C12H13FN2O3/c1-7(16)10-4-3-9(5-11(10)13)17-6-12-15-14-8(2)18-12/h3-5,7,16H,6H2,1-2H3/t7-/m0/s1
InChIKeyIYPZXHXEZUHSEY-ZETCQYMHSA-N
XLogP2.15
TPSA68.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.24
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S)-1-[5-chloro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanol
CID 78931134
1-[4-bromo-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanol
CID 102948491
(1R)-1-[2-fluoro-4-(pyrimidin-2-ylmethoxy)phenyl]ethanol
CID 107720035
(1R)-1-[4-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]-2-fluorophenyl]ethanol
CID 107719981
2-[(4-ethoxyphenoxy)methyl]-5-methyl-1,3,4-oxadiazole
CID 110655535
2-methyl-5-[(4-propan-2-ylphenoxy)methyl]-1,3,4-oxadiazole
CID 60627683
(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
(1R)-1-[4-[(3,4-difluorophenyl)methoxy]-2-fluorophenyl]ethanol
CID 107719922
(1R)-1-[2-fluoro-4-(thiophen-2-ylmethoxy)phenyl]ethanol
CID 107720186
(1S)-1-[2-fluoro-4-[(4-iodophenyl)methoxy]phenyl]ethanol
CID 107720343
(1R)-1-[2-fluoro-4-(methoxymethoxy)phenyl]ethanol
CID 107720039

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-fluoro-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanol?
The IUPAC name of (1S)-1-[2-fluoro-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanol (CID 107720562) is (1S)-1-[2-fluoro-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanol.
What is the SMILES notation for (1S)-1-[2-fluoro-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanol?
The canonical SMILES for (1S)-1-[2-fluoro-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanol is Cc1nnc(COc2ccc([C@H](C)O)c(F)c2)o1.
What is the InChIKey of (1S)-1-[2-fluoro-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanol?
The InChIKey is IYPZXHXEZUHSEY-ZETCQYMHSA-N. The full InChI is InChI=1S/C12H13FN2O3/c1-7(16)10-4-3-9(5-11(10)13)17-6-12-15-14-8(2)18-12/h3-5,7,16H,6H2,1-2H3/t7-/m0/s1.
What are the key properties of (1S)-1-[2-fluoro-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanol?
(1S)-1-[2-fluoro-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanol has a molecular weight of 252.24 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-fluoro-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanol is sourced from PubChem (CID 107720562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).