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

C12H13NO4 — CID 60869596

IUPAC[5-methoxy-2-(1,2-oxazol-4-ylmethoxy)phenyl]methanol
SMILESCOc1ccc(OCc2cnoc2)c(CO)c1
InChIInChI=1S/C12H13NO4/c1-15-11-2-3-12(10(4-11)6-14)16-7-9-5-13-17-8-9/h2-5,8,14H,6-7H2,1H3
InChIKeyGRPXLZBJOJUBHP-UHFFFAOYSA-N
MW235.24 g/mol
LogP1.75
Rot. Bonds5

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

[5-methoxy-2-(1,2-oxazol-4-ylmethoxy)phenyl]methanol (PubChem CID 60869596) has the molecular formula C12H13NO4 and a molecular weight of 235.24 g/mol. Its IUPAC name is [5-methoxy-2-(1,2-oxazol-4-ylmethoxy)phenyl]methanol.

Molecular Properties

Compound Name[5-methoxy-2-(1,2-oxazol-4-ylmethoxy)phenyl]methanol
PubChem CID60869596
Molecular FormulaC12H13NO4
Molecular Weight235.24 g/mol
Exact Mass235.08
IUPAC Name[5-methoxy-2-(1,2-oxazol-4-ylmethoxy)phenyl]methanol
SMILESCOc1ccc(OCc2cnoc2)c(CO)c1
InChIInChI=1S/C12H13NO4/c1-15-11-2-3-12(10(4-11)6-14)16-7-9-5-13-17-8-9/h2-5,8,14H,6-7H2,1H3
InChIKeyGRPXLZBJOJUBHP-UHFFFAOYSA-N
XLogP1.75
TPSA64.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[5-bromo-2-(1,2-oxazol-4-ylmethoxy)phenyl]methanol
CID 60869592
(1R)-1-[4-methoxy-2-(1,2-oxazol-4-ylmethoxy)phenyl]ethanol
CID 82000952
[5-methoxy-2-(1,3-thiazol-4-ylmethoxy)phenyl]methanol
CID 43267936
[2-[(4-chloro-3-fluorophenyl)methoxy]-5-methoxyphenyl]methanol
CID 107882261
[5-chloro-2-[(4-methoxyphenyl)methoxy]phenyl]methanol
CID 43141927
[4-(1,2-oxazol-4-ylmethoxy)-3-(trifluoromethyl)phenyl]methanol
CID 63320802
4-[(2-ethylphenoxy)methyl]-1,2-oxazole
CID 61223505
[2-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methanol
CID 43267981
[2-[(2-bromophenyl)methoxy]-5-methoxyphenyl]methanol
CID 43267977
[5-methoxy-2-[(3-nitrophenyl)methoxy]phenyl]methanol
CID 43267995
[5-methoxy-2-(2,2,2-trifluoroethoxy)phenyl]methanol
CID 43268000
2-(chloromethyl)-4-methoxy-1-[(4-methoxyphenyl)methoxy]benzene
CID 43268081

Frequently Asked Questions

What is the IUPAC name of [5-methoxy-2-(1,2-oxazol-4-ylmethoxy)phenyl]methanol?
The IUPAC name of [5-methoxy-2-(1,2-oxazol-4-ylmethoxy)phenyl]methanol (CID 60869596) is [5-methoxy-2-(1,2-oxazol-4-ylmethoxy)phenyl]methanol.
What is the SMILES notation for [5-methoxy-2-(1,2-oxazol-4-ylmethoxy)phenyl]methanol?
The canonical SMILES for [5-methoxy-2-(1,2-oxazol-4-ylmethoxy)phenyl]methanol is COc1ccc(OCc2cnoc2)c(CO)c1.
What is the InChIKey of [5-methoxy-2-(1,2-oxazol-4-ylmethoxy)phenyl]methanol?
The InChIKey is GRPXLZBJOJUBHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO4/c1-15-11-2-3-12(10(4-11)6-14)16-7-9-5-13-17-8-9/h2-5,8,14H,6-7H2,1H3.
What are the key properties of [5-methoxy-2-(1,2-oxazol-4-ylmethoxy)phenyl]methanol?
[5-methoxy-2-(1,2-oxazol-4-ylmethoxy)phenyl]methanol has a molecular weight of 235.24 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methoxy-2-(1,2-oxazol-4-ylmethoxy)phenyl]methanol is sourced from PubChem (CID 60869596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).