(1S)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanol

C11H12N2O3 — CID 66262874

IUPAC(1S)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanol
SMILESCOc1ccc(-c2noc([C@H](C)O)n2)cc1
InChIInChI=1S/C11H12N2O3/c1-7(14)11-12-10(13-16-11)8-3-5-9(15-2)6-4-8/h3-7,14H,1-2H3/t7-/m0/s1
InChIKeyQAXCUKSQVXLJFS-ZETCQYMHSA-N
MW220.23 g/mol
LogP1.80
Rot. Bonds3

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

(1S)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanol (PubChem CID 66262874) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is (1S)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanol.

Molecular Properties

Compound Name(1S)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanol
PubChem CID66262874
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC Name(1S)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanol
SMILESCOc1ccc(-c2noc([C@H](C)O)n2)cc1
InChIInChI=1S/C11H12N2O3/c1-7(14)11-12-10(13-16-11)8-3-5-9(15-2)6-4-8/h3-7,14H,1-2H3/t7-/m0/s1
InChIKeyQAXCUKSQVXLJFS-ZETCQYMHSA-N
XLogP1.80
TPSA68.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 63345393
2-amino-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 66167737
(1S)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethanol
CID 66264576
1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylethanamine
CID 55137901
5-[(1S)-1-(4-methoxyphenoxy)ethyl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 925226
3-(4-methoxyphenyl)-5-(1-phenoxyethyl)-1,2,4-oxadiazole
CID 4312065
3-(4-chlorophenyl)-5-[1-(4-methoxyphenoxy)ethyl]-1,2,4-oxadiazole
CID 3159112
4-[5-(1-hydroxyethyl)-1,2,4-oxadiazol-3-yl]benzene-1,2-diol
CID 136889543
5-[1-(4-methoxyphenoxy)ethyl]-3-phenyl-1,2,4-oxadiazole
CID 2953085
1-[3-(4-ethylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 106850000
4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 104685787
N-ethyl-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 63348679

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanol?
The IUPAC name of (1S)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanol (CID 66262874) is (1S)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanol.
What is the SMILES notation for (1S)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanol?
The canonical SMILES for (1S)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanol is COc1ccc(-c2noc([C@H](C)O)n2)cc1.
What is the InChIKey of (1S)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanol?
The InChIKey is QAXCUKSQVXLJFS-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H12N2O3/c1-7(14)11-12-10(13-16-11)8-3-5-9(15-2)6-4-8/h3-7,14H,1-2H3/t7-/m0/s1.
What are the key properties of (1S)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanol?
(1S)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanol has a molecular weight of 220.23 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanol is sourced from PubChem (CID 66262874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).