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

C13H16N2O4 — CID 82001564

IUPAC(1S)-1-[4-methoxy-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanol
SMILESCOc1ccc([C@H](C)O)c(OCc2noc(C)n2)c1
InChIInChI=1S/C13H16N2O4/c1-8(16)11-5-4-10(17-3)6-12(11)18-7-13-14-9(2)19-15-13/h4-6,8,16H,7H2,1-3H3/t8-/m0/s1
InChIKeyRWIYNQODAGTPAF-QMMMGPOBSA-N
MW264.28 g/mol
LogP2.02
Rot. Bonds5

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

(1S)-1-[4-methoxy-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanol (PubChem CID 82001564) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is (1S)-1-[4-methoxy-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[4-methoxy-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanol
PubChem CID82001564
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Name(1S)-1-[4-methoxy-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanol
SMILESCOc1ccc([C@H](C)O)c(OCc2noc(C)n2)c1
InChIInChI=1S/C13H16N2O4/c1-8(16)11-5-4-10(17-3)6-12(11)18-7-13-14-9(2)19-15-13/h4-6,8,16H,7H2,1-3H3/t8-/m0/s1
InChIKeyRWIYNQODAGTPAF-QMMMGPOBSA-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 (1S)-1-[4-methoxy-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanol with MolForge

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Related Compounds

(1R)-1-[2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-4-methoxyphenyl]ethanol
CID 82001505
(1S)-1-[4-methoxy-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanol
CID 82002108
(1S)-1-[2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]-4-methoxyphenyl]ethanol
CID 82001713
1-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanol
CID 43503950
[4-methoxy-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanol
CID 61268872
(1S)-1-[4-methoxy-2-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanol
CID 82002744
(1S)-1-[4-methoxy-2-(pyrimidin-2-ylmethoxy)phenyl]ethanol
CID 82001017
(1R)-1-[3-methoxy-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanol
CID 78931097
1-[4-methoxy-2-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]phenyl]ethanol
CID 82001778
(1S)-1-[4-methoxy-2-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]phenyl]ethanol
CID 82001492
(1S)-1-[4-methyl-2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanol
CID 63650770
1-[4-methoxy-2-[(6-methyl-2-pyridinyl)methoxy]phenyl]ethanol
CID 82001009

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[4-methoxy-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanol?
The IUPAC name of (1S)-1-[4-methoxy-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanol (CID 82001564) is (1S)-1-[4-methoxy-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanol.
What is the SMILES notation for (1S)-1-[4-methoxy-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanol?
The canonical SMILES for (1S)-1-[4-methoxy-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanol is COc1ccc([C@H](C)O)c(OCc2noc(C)n2)c1.
What is the InChIKey of (1S)-1-[4-methoxy-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanol?
The InChIKey is RWIYNQODAGTPAF-QMMMGPOBSA-N. The full InChI is InChI=1S/C13H16N2O4/c1-8(16)11-5-4-10(17-3)6-12(11)18-7-13-14-9(2)19-15-13/h4-6,8,16H,7H2,1-3H3/t8-/m0/s1.
What are the key properties of (1S)-1-[4-methoxy-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanol?
(1S)-1-[4-methoxy-2-[(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 (1S)-1-[4-methoxy-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanol is sourced from PubChem (CID 82001564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).