[6-[(5-methyl-1,2-oxazol-3-yl)methoxy]-1,3-benzodioxol-5-yl]methanol

C13H13NO5 — CID 55013005

IUPAC[6-[(5-methyl-1,2-oxazol-3-yl)methoxy]-1,3-benzodioxol-5-yl]methanol
SMILESCc1cc(COc2cc3c(cc2CO)OCO3)no1
InChIInChI=1S/C13H13NO5/c1-8-2-10(14-19-8)6-16-11-4-13-12(17-7-18-13)3-9(11)5-15/h2-4,15H,5-7H2,1H3
InChIKeyFSHHZRGRKOSRFY-UHFFFAOYSA-N
MW263.25 g/mol
LogP1.78
Rot. Bonds4

About [6-[(5-methyl-1,2-oxazol-3-yl)methoxy]-1,3-benzodioxol-5-yl]methanol

[6-[(5-methyl-1,2-oxazol-3-yl)methoxy]-1,3-benzodioxol-5-yl]methanol (PubChem CID 55013005) has the molecular formula C13H13NO5 and a molecular weight of 263.25 g/mol. Its IUPAC name is [6-[(5-methyl-1,2-oxazol-3-yl)methoxy]-1,3-benzodioxol-5-yl]methanol.

Molecular Properties

Compound Name[6-[(5-methyl-1,2-oxazol-3-yl)methoxy]-1,3-benzodioxol-5-yl]methanol
PubChem CID55013005
Molecular FormulaC13H13NO5
Molecular Weight263.25 g/mol
Exact Mass263.08
IUPAC Name[6-[(5-methyl-1,2-oxazol-3-yl)methoxy]-1,3-benzodioxol-5-yl]methanol
SMILESCc1cc(COc2cc3c(cc2CO)OCO3)no1
InChIInChI=1S/C13H13NO5/c1-8-2-10(14-19-8)6-16-11-4-13-12(17-7-18-13)3-9(11)5-15/h2-4,15H,5-7H2,1H3
InChIKeyFSHHZRGRKOSRFY-UHFFFAOYSA-N
XLogP1.78
TPSA73.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.25
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[6-(2-methylidenebutoxy)-1,3-benzodioxol-5-yl]methanol
CID 66045725
[6-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]-1,3-benzodioxol-5-yl]methanamine
CID 55011863
3-[(2-ethylphenoxy)methyl]-5-methyl-1,2-oxazole
CID 60673786
[3,5-dibromo-4-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]methanol
CID 107738846
[6-(cyclohexylmethoxy)-1,3-benzodioxol-5-yl]methanol
CID 55012960
3-[(2,5-dichlorophenoxy)methyl]-5-methyl-1,2-oxazole
CID 78807744
[6-[(4-methylmorpholin-2-yl)methoxy]-1,3-benzodioxol-5-yl]methanol
CID 79172447
[6-(2-pyrazol-1-ylethoxy)-1,3-benzodioxol-5-yl]methanol
CID 55013145
3-chloro-4-[(5-methyl-1,2-oxazol-3-yl)methoxy]benzoic acid
CID 45293842
N-methyl-1-[6-(1,3-thiazol-4-ylmethoxy)-1,3-benzodioxol-5-yl]methanamine
CID 55011915
5-[[6-(hydroxymethyl)-1,3-benzodioxol-5-yl]oxy]-2,2-dimethylpentanenitrile
CID 65255769
4-bromo-2-[(5-methyl-1,2-oxazol-3-yl)methoxy]aniline
CID 141045942

Frequently Asked Questions

What is the IUPAC name of [6-[(5-methyl-1,2-oxazol-3-yl)methoxy]-1,3-benzodioxol-5-yl]methanol?
The IUPAC name of [6-[(5-methyl-1,2-oxazol-3-yl)methoxy]-1,3-benzodioxol-5-yl]methanol (CID 55013005) is [6-[(5-methyl-1,2-oxazol-3-yl)methoxy]-1,3-benzodioxol-5-yl]methanol.
What is the SMILES notation for [6-[(5-methyl-1,2-oxazol-3-yl)methoxy]-1,3-benzodioxol-5-yl]methanol?
The canonical SMILES for [6-[(5-methyl-1,2-oxazol-3-yl)methoxy]-1,3-benzodioxol-5-yl]methanol is Cc1cc(COc2cc3c(cc2CO)OCO3)no1.
What is the InChIKey of [6-[(5-methyl-1,2-oxazol-3-yl)methoxy]-1,3-benzodioxol-5-yl]methanol?
The InChIKey is FSHHZRGRKOSRFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO5/c1-8-2-10(14-19-8)6-16-11-4-13-12(17-7-18-13)3-9(11)5-15/h2-4,15H,5-7H2,1H3.
What are the key properties of [6-[(5-methyl-1,2-oxazol-3-yl)methoxy]-1,3-benzodioxol-5-yl]methanol?
[6-[(5-methyl-1,2-oxazol-3-yl)methoxy]-1,3-benzodioxol-5-yl]methanol has a molecular weight of 263.25 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(5-methyl-1,2-oxazol-3-yl)methoxy]-1,3-benzodioxol-5-yl]methanol is sourced from PubChem (CID 55013005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).