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

C12H14N2O3 — CID 78934177

IUPAC(1S)-1-[3-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanol
SMILESCc1noc(COc2cccc([C@H](C)O)c2)n1
InChIInChI=1S/C12H14N2O3/c1-8(15)10-4-3-5-11(6-10)16-7-12-13-9(2)14-17-12/h3-6,8,15H,7H2,1-2H3/t8-/m0/s1
InChIKeyUHDNMBYYHVVEGL-QMMMGPOBSA-N
MW234.25 g/mol
LogP2.01
Rot. Bonds4

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

(1S)-1-[3-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanol (PubChem CID 78934177) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is (1S)-1-[3-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[3-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanol
PubChem CID78934177
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name(1S)-1-[3-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanol
SMILESCc1noc(COc2cccc([C@H](C)O)c2)n1
InChIInChI=1S/C12H14N2O3/c1-8(15)10-4-3-5-11(6-10)16-7-12-13-9(2)14-17-12/h3-6,8,15H,7H2,1-2H3/t8-/m0/s1
InChIKeyUHDNMBYYHVVEGL-QMMMGPOBSA-N
XLogP2.01
TPSA68.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1R)-1-[3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanol
CID 55189536
1-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanol
CID 43503686
(1R)-1-[3-[[3-[(1S)-1-ethoxyethyl]-1,2,4-oxadiazol-5-yl]methoxy]phenyl]ethanol
CID 97029342
(1R)-1-[3-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]ethanol
CID 63365604
3-methyl-5-[(4-propan-2-ylphenoxy)methyl]-1,2,4-oxadiazole
CID 60718376
(1R)-1-[3-[(4-methylphenyl)methoxy]phenyl]ethanol
CID 63366566
(1R)-1-[3-(2-phenoxyethoxy)phenyl]ethanol
CID 63365536
(E)-3-[3-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]prop-2-enoic acid
CID 29018302
(1S)-1-[3-(thiophen-2-ylmethoxy)phenyl]ethanol
CID 78933301
(1R)-1-[3-[(3,4-dimethylphenyl)methoxy]phenyl]ethanol
CID 55190777
1-[3-(thiophen-2-ylmethoxy)phenyl]ethanol
CID 43504299
(1R)-1-[5-methyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanol
CID 55188812

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[3-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanol?
The IUPAC name of (1S)-1-[3-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanol (CID 78934177) is (1S)-1-[3-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanol.
What is the SMILES notation for (1S)-1-[3-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanol?
The canonical SMILES for (1S)-1-[3-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanol is Cc1noc(COc2cccc([C@H](C)O)c2)n1.
What is the InChIKey of (1S)-1-[3-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanol?
The InChIKey is UHDNMBYYHVVEGL-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-8(15)10-4-3-5-11(6-10)16-7-12-13-9(2)14-17-12/h3-6,8,15H,7H2,1-2H3/t8-/m0/s1.
What are the key properties of (1S)-1-[3-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanol?
(1S)-1-[3-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanol has a molecular weight of 234.25 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[3-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanol is sourced from PubChem (CID 78934177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).