1-[3-methoxy-4-(1,2-oxazol-5-ylmethoxy)phenyl]ethanol

C13H15NO4 — CID 43503809

IUPAC1-[3-methoxy-4-(1,2-oxazol-5-ylmethoxy)phenyl]ethanol
SMILESCOc1cc(C(C)O)ccc1OCc1ccno1
InChIInChI=1S/C13H15NO4/c1-9(15)10-3-4-12(13(7-10)16-2)17-8-11-5-6-14-18-11/h3-7,9,15H,8H2,1-2H3
InChIKeyINDLZPFBBPCLRG-UHFFFAOYSA-N
MW249.27 g/mol
LogP2.32
Rot. Bonds5

About 1-[3-methoxy-4-(1,2-oxazol-5-ylmethoxy)phenyl]ethanol

1-[3-methoxy-4-(1,2-oxazol-5-ylmethoxy)phenyl]ethanol (PubChem CID 43503809) has the molecular formula C13H15NO4 and a molecular weight of 249.27 g/mol. Its IUPAC name is 1-[3-methoxy-4-(1,2-oxazol-5-ylmethoxy)phenyl]ethanol.

Molecular Properties

Compound Name1-[3-methoxy-4-(1,2-oxazol-5-ylmethoxy)phenyl]ethanol
PubChem CID43503809
Molecular FormulaC13H15NO4
Molecular Weight249.27 g/mol
Exact Mass249.10
IUPAC Name1-[3-methoxy-4-(1,2-oxazol-5-ylmethoxy)phenyl]ethanol
SMILESCOc1cc(C(C)O)ccc1OCc1ccno1
InChIInChI=1S/C13H15NO4/c1-9(15)10-3-4-12(13(7-10)16-2)17-8-11-5-6-14-18-11/h3-7,9,15H,8H2,1-2H3
InChIKeyINDLZPFBBPCLRG-UHFFFAOYSA-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

(1S)-1-[3-methoxy-4-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]ethanol
CID 78931662
1-[4-fluoro-2-(1,2-oxazol-5-ylmethoxy)phenyl]ethanol
CID 63068020
(1R)-1-[3-methoxy-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanol
CID 78931097
(1S)-1-(3-methoxy-4-phenylmethoxyphenyl)ethanol
CID 63364701
(1R)-1-[3-methoxy-4-(methoxymethoxy)phenyl]ethanol
CID 65364454
1-[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)phenyl]ethanol
CID 43503800
(1R)-1-[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]ethanol
CID 63364423
(1R)-1-[3-methoxy-4-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanol
CID 63364675
(1R)-1-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]ethanol
CID 78931221
(1R)-1-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]ethanol
CID 78931656
(1R)-1-[4-[(5-fluoro-2-methylphenyl)methoxy]-3-methoxyphenyl]ethanol
CID 105372092
(1R)-1-[3-chloro-4-(1,2-oxazol-5-ylmethoxy)phenyl]ethanamine
CID 113389763

Frequently Asked Questions

What is the IUPAC name of 1-[3-methoxy-4-(1,2-oxazol-5-ylmethoxy)phenyl]ethanol?
The IUPAC name of 1-[3-methoxy-4-(1,2-oxazol-5-ylmethoxy)phenyl]ethanol (CID 43503809) is 1-[3-methoxy-4-(1,2-oxazol-5-ylmethoxy)phenyl]ethanol.
What is the SMILES notation for 1-[3-methoxy-4-(1,2-oxazol-5-ylmethoxy)phenyl]ethanol?
The canonical SMILES for 1-[3-methoxy-4-(1,2-oxazol-5-ylmethoxy)phenyl]ethanol is COc1cc(C(C)O)ccc1OCc1ccno1.
What is the InChIKey of 1-[3-methoxy-4-(1,2-oxazol-5-ylmethoxy)phenyl]ethanol?
The InChIKey is INDLZPFBBPCLRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO4/c1-9(15)10-3-4-12(13(7-10)16-2)17-8-11-5-6-14-18-11/h3-7,9,15H,8H2,1-2H3.
What are the key properties of 1-[3-methoxy-4-(1,2-oxazol-5-ylmethoxy)phenyl]ethanol?
1-[3-methoxy-4-(1,2-oxazol-5-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 1-[3-methoxy-4-(1,2-oxazol-5-ylmethoxy)phenyl]ethanol is sourced from PubChem (CID 43503809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).