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

C12H14N2O4 — CID 61268872

IUPAC[4-methoxy-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanol
SMILESCOc1ccc(CO)c(OCc2noc(C)n2)c1
InChIInChI=1S/C12H14N2O4/c1-8-13-12(14-18-8)7-17-11-5-10(16-2)4-3-9(11)6-15/h3-5,15H,6-7H2,1-2H3
InChIKeyNCYHPKYSPUFNPT-UHFFFAOYSA-N
MW250.25 g/mol
LogP1.46
Rot. Bonds5

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

[4-methoxy-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanol (PubChem CID 61268872) has the molecular formula C12H14N2O4 and a molecular weight of 250.25 g/mol. Its IUPAC name is [4-methoxy-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanol.

Molecular Properties

Compound Name[4-methoxy-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanol
PubChem CID61268872
Molecular FormulaC12H14N2O4
Molecular Weight250.25 g/mol
Exact Mass250.10
IUPAC Name[4-methoxy-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanol
SMILESCOc1ccc(CO)c(OCc2noc(C)n2)c1
InChIInChI=1S/C12H14N2O4/c1-8-13-12(14-18-8)7-17-11-5-10(16-2)4-3-9(11)6-15/h3-5,15H,6-7H2,1-2H3
InChIKeyNCYHPKYSPUFNPT-UHFFFAOYSA-N
XLogP1.46
TPSA77.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-4-methoxyphenyl]methanol
CID 61496996
(1S)-1-[4-methoxy-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanol
CID 82001564
[4-methoxy-2-[(6-methyl-2-pyridinyl)methoxy]phenyl]methanol
CID 79268166
(2-ethoxy-4-methoxyphenyl)methanol
CID 61267380
[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-5-nitrophenyl]methanol
CID 43472935
1-[2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-4-methoxyphenyl]-N-methylmethanamine
CID 61497343
[4-methoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]methanol
CID 112641042
[4-methoxy-2-(1,3-thiazol-4-ylmethoxy)phenyl]methanol
CID 61269053
N-(2,5-dimethoxyphenyl)-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 51309899
N-(4-methoxyphenyl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 46688985
(1R)-1-[3-methoxy-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanol
CID 78931097
4-methyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoic acid
CID 61379514

Frequently Asked Questions

What is the IUPAC name of [4-methoxy-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanol?
The IUPAC name of [4-methoxy-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanol (CID 61268872) is [4-methoxy-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanol.
What is the SMILES notation for [4-methoxy-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanol?
The canonical SMILES for [4-methoxy-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanol is COc1ccc(CO)c(OCc2noc(C)n2)c1.
What is the InChIKey of [4-methoxy-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanol?
The InChIKey is NCYHPKYSPUFNPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O4/c1-8-13-12(14-18-8)7-17-11-5-10(16-2)4-3-9(11)6-15/h3-5,15H,6-7H2,1-2H3.
What are the key properties of [4-methoxy-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanol?
[4-methoxy-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanol has a molecular weight of 250.25 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methoxy-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanol is sourced from PubChem (CID 61268872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).