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

C13H16N2O3 — CID 55188812

IUPAC(1R)-1-[5-methyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanol
SMILESCc1ccc(OCc2nc(C)no2)c([C@@H](C)O)c1
InChIInChI=1S/C13H16N2O3/c1-8-4-5-12(11(6-8)9(2)16)17-7-13-14-10(3)15-18-13/h4-6,9,16H,7H2,1-3H3/t9-/m1/s1
InChIKeyJCGGDKPFTUXNIW-SECBINFHSA-N
MW248.28 g/mol
LogP2.32
Rot. Bonds4

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

(1R)-1-[5-methyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanol (PubChem CID 55188812) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is (1R)-1-[5-methyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[5-methyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanol
PubChem CID55188812
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name(1R)-1-[5-methyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanol
SMILESCc1ccc(OCc2nc(C)no2)c([C@@H](C)O)c1
InChIInChI=1S/C13H16N2O3/c1-8-4-5-12(11(6-8)9(2)16)17-7-13-14-10(3)15-18-13/h4-6,9,16H,7H2,1-3H3/t9-/m1/s1
InChIKeyJCGGDKPFTUXNIW-SECBINFHSA-N
XLogP2.32
TPSA68.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

(1R)-1-[5-methyl-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanol
CID 78933395
(1S)-1-[4-methoxy-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanol
CID 82002108
1-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-5-methylphenyl]ethanol
CID 43505265
1-[2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]-5-methylphenyl]ethanol
CID 66188562
(1R)-1-(2-ethoxy-5-methylphenyl)ethanol
CID 63364902
(1R)-1-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]propan-1-ol
CID 55189160
(1S)-1-[5-methyl-2-[(6-methyl-2-pyridinyl)methoxy]phenyl]ethanol
CID 79267455
(1R)-1-[2-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]-5-methylphenyl]ethanol
CID 82887705
1-[2-[(2,5-dimethylphenyl)methoxy]-5-methylphenyl]ethanol
CID 61481674
1-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanol
CID 43503686
1-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]naphthalen-2-yl]ethanol
CID 43504376
(1S)-1-[5-methyl-2-(pyridin-2-ylmethoxy)phenyl]ethanol
CID 55190234

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[5-methyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanol?
The IUPAC name of (1R)-1-[5-methyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanol (CID 55188812) is (1R)-1-[5-methyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanol.
What is the SMILES notation for (1R)-1-[5-methyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanol?
The canonical SMILES for (1R)-1-[5-methyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanol is Cc1ccc(OCc2nc(C)no2)c([C@@H](C)O)c1.
What is the InChIKey of (1R)-1-[5-methyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanol?
The InChIKey is JCGGDKPFTUXNIW-SECBINFHSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-8-4-5-12(11(6-8)9(2)16)17-7-13-14-10(3)15-18-13/h4-6,9,16H,7H2,1-3H3/t9-/m1/s1.
What are the key properties of (1R)-1-[5-methyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanol?
(1R)-1-[5-methyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanol has a molecular weight of 248.28 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[5-methyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanol is sourced from PubChem (CID 55188812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).