[2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-4-methoxyphenyl]methanol

C13H16N2O4 — CID 61496996

IUPAC[2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-4-methoxyphenyl]methanol
SMILESCCc1nc(COc2cc(OC)ccc2CO)no1
InChIInChI=1S/C13H16N2O4/c1-3-13-14-12(15-19-13)8-18-11-6-10(17-2)5-4-9(11)7-16/h4-6,16H,3,7-8H2,1-2H3
InChIKeyMJRLUZRYMHQWRT-UHFFFAOYSA-N
MW264.28 g/mol
LogP1.71
Rot. Bonds6

About [2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-4-methoxyphenyl]methanol

[2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-4-methoxyphenyl]methanol (PubChem CID 61496996) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is [2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-4-methoxyphenyl]methanol.

Molecular Properties

Compound Name[2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-4-methoxyphenyl]methanol
PubChem CID61496996
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Name[2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-4-methoxyphenyl]methanol
SMILESCCc1nc(COc2cc(OC)ccc2CO)no1
InChIInChI=1S/C13H16N2O4/c1-3-13-14-12(15-19-13)8-18-11-6-10(17-2)5-4-9(11)7-16/h4-6,16H,3,7-8H2,1-2H3
InChIKeyMJRLUZRYMHQWRT-UHFFFAOYSA-N
XLogP1.71
TPSA77.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-4-methoxyphenyl]-N-methylmethanamine
CID 61497343
[4-methoxy-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanol
CID 61268872
(1R)-1-[2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-4-methoxyphenyl]ethanol
CID 82001505
(2-ethoxy-4-methoxyphenyl)methanol
CID 61267380
(1S)-1-[2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]-4-methoxyphenyl]ethanol
CID 82001713
[2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methanol
CID 28783005
5-ethyl-3-(naphthalen-1-yloxymethyl)-1,2,4-oxadiazole
CID 63862061
1-[2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]-5-methoxyphenyl]-N-methylmethanamine
CID 60878906
3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]phenol
CID 61497436
[4-methoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]methanol
CID 112641042
[4-methoxy-2-[(6-methyl-2-pyridinyl)methoxy]phenyl]methanol
CID 79268166
1-[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]propan-2-one
CID 115495429

Frequently Asked Questions

What is the IUPAC name of [2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-4-methoxyphenyl]methanol?
The IUPAC name of [2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-4-methoxyphenyl]methanol (CID 61496996) is [2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-4-methoxyphenyl]methanol.
What is the SMILES notation for [2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-4-methoxyphenyl]methanol?
The canonical SMILES for [2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-4-methoxyphenyl]methanol is CCc1nc(COc2cc(OC)ccc2CO)no1.
What is the InChIKey of [2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-4-methoxyphenyl]methanol?
The InChIKey is MJRLUZRYMHQWRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4/c1-3-13-14-12(15-19-13)8-18-11-6-10(17-2)5-4-9(11)7-16/h4-6,16H,3,7-8H2,1-2H3.
What are the key properties of [2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-4-methoxyphenyl]methanol?
[2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-4-methoxyphenyl]methanol has a molecular weight of 264.28 g/mol, XLogP of 1.71, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-4-methoxyphenyl]methanol is sourced from PubChem (CID 61496996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).