(1R)-1-[4-methoxy-2-(1,2-oxazol-4-ylmethoxy)phenyl]ethanol

C13H15NO4 — CID 82000952

IUPAC(1R)-1-[4-methoxy-2-(1,2-oxazol-4-ylmethoxy)phenyl]ethanol
SMILESCOc1ccc([C@@H](C)O)c(OCc2cnoc2)c1
InChIInChI=1S/C13H15NO4/c1-9(15)12-4-3-11(16-2)5-13(12)17-7-10-6-14-18-8-10/h3-6,8-9,15H,7H2,1-2H3/t9-/m1/s1
InChIKeyRNSUIBCXNUCGPC-SECBINFHSA-N
MW249.27 g/mol
LogP2.32
Rot. Bonds5

About (1R)-1-[4-methoxy-2-(1,2-oxazol-4-ylmethoxy)phenyl]ethanol

(1R)-1-[4-methoxy-2-(1,2-oxazol-4-ylmethoxy)phenyl]ethanol (PubChem CID 82000952) has the molecular formula C13H15NO4 and a molecular weight of 249.27 g/mol. Its IUPAC name is (1R)-1-[4-methoxy-2-(1,2-oxazol-4-ylmethoxy)phenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[4-methoxy-2-(1,2-oxazol-4-ylmethoxy)phenyl]ethanol
PubChem CID82000952
Molecular FormulaC13H15NO4
Molecular Weight249.27 g/mol
Exact Mass249.10
IUPAC Name(1R)-1-[4-methoxy-2-(1,2-oxazol-4-ylmethoxy)phenyl]ethanol
SMILESCOc1ccc([C@@H](C)O)c(OCc2cnoc2)c1
InChIInChI=1S/C13H15NO4/c1-9(15)12-4-3-11(16-2)5-13(12)17-7-10-6-14-18-8-10/h3-6,8-9,15H,7H2,1-2H3/t9-/m1/s1
InChIKeyRNSUIBCXNUCGPC-SECBINFHSA-N
XLogP2.32
TPSA64.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[5-methoxy-2-(1,2-oxazol-4-ylmethoxy)phenyl]methanol
CID 60869596
(1S)-1-[2-[(3,4-dimethylphenyl)methoxy]-4-methoxyphenyl]ethanol
CID 82003422
(1S)-1-[4-methoxy-2-(pyrimidin-2-ylmethoxy)phenyl]ethanol
CID 82001017
(1S)-1-[2-[(1-ethylpyrazol-4-yl)methoxy]-4-methoxyphenyl]ethanol
CID 82001952
(1R)-1-[4-methoxy-2-[(3-methylphenyl)methoxy]phenyl]ethanol
CID 82001197
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-methoxy-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanol
CID 82002108
1-[2-[(3-bromo-5-fluorophenyl)methoxy]-4-methoxyphenyl]ethanol
CID 82003210
(1S)-1-[4-methoxy-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanol
CID 82001564
(1S)-1-(2,4-dimethoxyphenyl)ethanol
CID 25324308
1-(4-methoxy-2-propoxyphenyl)ethanol
CID 45157126

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-methoxy-2-(1,2-oxazol-4-ylmethoxy)phenyl]ethanol?
The IUPAC name of (1R)-1-[4-methoxy-2-(1,2-oxazol-4-ylmethoxy)phenyl]ethanol (CID 82000952) is (1R)-1-[4-methoxy-2-(1,2-oxazol-4-ylmethoxy)phenyl]ethanol.
What is the SMILES notation for (1R)-1-[4-methoxy-2-(1,2-oxazol-4-ylmethoxy)phenyl]ethanol?
The canonical SMILES for (1R)-1-[4-methoxy-2-(1,2-oxazol-4-ylmethoxy)phenyl]ethanol is COc1ccc([C@@H](C)O)c(OCc2cnoc2)c1.
What is the InChIKey of (1R)-1-[4-methoxy-2-(1,2-oxazol-4-ylmethoxy)phenyl]ethanol?
The InChIKey is RNSUIBCXNUCGPC-SECBINFHSA-N. The full InChI is InChI=1S/C13H15NO4/c1-9(15)12-4-3-11(16-2)5-13(12)17-7-10-6-14-18-8-10/h3-6,8-9,15H,7H2,1-2H3/t9-/m1/s1.
What are the key properties of (1R)-1-[4-methoxy-2-(1,2-oxazol-4-ylmethoxy)phenyl]ethanol?
(1R)-1-[4-methoxy-2-(1,2-oxazol-4-ylmethoxy)phenyl]ethanol has a molecular weight of 249.27 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-methoxy-2-(1,2-oxazol-4-ylmethoxy)phenyl]ethanol is sourced from PubChem (CID 82000952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).