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

C13H16N2O4 — CID 78931097

IUPAC(1R)-1-[3-methoxy-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanol
SMILESCOc1cc([C@@H](C)O)ccc1OCc1noc(C)n1
InChIInChI=1S/C13H16N2O4/c1-8(16)10-4-5-11(12(6-10)17-3)18-7-13-14-9(2)19-15-13/h4-6,8,16H,7H2,1-3H3/t8-/m1/s1
InChIKeyBYGUNUPEDPNLOJ-MRVPVSSYSA-N
MW264.28 g/mol
LogP2.02
Rot. Bonds5

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

(1R)-1-[3-methoxy-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanol (PubChem CID 78931097) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is (1R)-1-[3-methoxy-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[3-methoxy-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanol
PubChem CID78931097
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Name(1R)-1-[3-methoxy-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanol
SMILESCOc1cc([C@@H](C)O)ccc1OCc1noc(C)n1
InChIInChI=1S/C13H16N2O4/c1-8(16)10-4-5-11(12(6-10)17-3)18-7-13-14-9(2)19-15-13/h4-6,8,16H,7H2,1-3H3/t8-/m1/s1
InChIKeyBYGUNUPEDPNLOJ-MRVPVSSYSA-N
XLogP2.02
TPSA77.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

N-ethyl-1-[3-methoxy-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine
CID 60882299
(1R)-1-[3-methoxy-4-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanol
CID 63364675
(1S)-1-[4-methoxy-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanol
CID 82001564
(1S)-1-[3-methoxy-4-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]ethanol
CID 78931662
1-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanol
CID 43503950
1-[3-methoxy-4-(1,2-oxazol-5-ylmethoxy)phenyl]ethanol
CID 43503809
1-[3-methoxy-4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine
CID 61497402
1-[3-methoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanol
CID 43503813
1-[3-fluoro-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine
CID 113389423
1-[3-methoxy-4-[(5-methyl-3-pyridinyl)methoxy]phenyl]ethanol
CID 102881584
(1S)-1-(3-methoxy-4-phenylmethoxyphenyl)ethanol
CID 63364701
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N-methyl-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide
CID 110629749

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-methoxy-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanol?
The IUPAC name of (1R)-1-[3-methoxy-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanol (CID 78931097) is (1R)-1-[3-methoxy-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanol.
What is the SMILES notation for (1R)-1-[3-methoxy-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanol?
The canonical SMILES for (1R)-1-[3-methoxy-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanol is COc1cc([C@@H](C)O)ccc1OCc1noc(C)n1.
What is the InChIKey of (1R)-1-[3-methoxy-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanol?
The InChIKey is BYGUNUPEDPNLOJ-MRVPVSSYSA-N. The full InChI is InChI=1S/C13H16N2O4/c1-8(16)10-4-5-11(12(6-10)17-3)18-7-13-14-9(2)19-15-13/h4-6,8,16H,7H2,1-3H3/t8-/m1/s1.
What are the key properties of (1R)-1-[3-methoxy-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanol?
(1R)-1-[3-methoxy-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanol has a molecular weight of 264.28 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-methoxy-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanol is sourced from PubChem (CID 78931097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).