methyl 2-[4-[[4-(hydroxymethyl)-2-methoxyphenoxy]methyl]-5-methyl-1,3-oxazol-2-yl]benzoate

C21H21NO6 — CID 69214137

IUPACmethyl 2-[4-[[4-(hydroxymethyl)-2-methoxyphenoxy]methyl]-5-methyl-1,3-oxazol-2-yl]benzoate
SMILESCOC(=O)c1ccccc1-c1nc(COc2ccc(CO)cc2OC)c(C)o1
InChIInChI=1S/C21H21NO6/c1-13-17(12-27-18-9-8-14(11-23)10-19(18)25-2)22-20(28-13)15-6-4-5-7-16(15)21(24)26-3/h4-10,23H,11-12H2,1-3H3
InChIKeyMNJUIURPAMWVFE-UHFFFAOYSA-N
MW383.40 g/mol
LogP3.52
Rot. Bonds7

About methyl 2-[4-[[4-(hydroxymethyl)-2-methoxyphenoxy]methyl]-5-methyl-1,3-oxazol-2-yl]benzoate

methyl 2-[4-[[4-(hydroxymethyl)-2-methoxyphenoxy]methyl]-5-methyl-1,3-oxazol-2-yl]benzoate (PubChem CID 69214137) has the molecular formula C21H21NO6 and a molecular weight of 383.40 g/mol. Its IUPAC name is methyl 2-[4-[[4-(hydroxymethyl)-2-methoxyphenoxy]methyl]-5-methyl-1,3-oxazol-2-yl]benzoate.

Molecular Properties

Compound Namemethyl 2-[4-[[4-(hydroxymethyl)-2-methoxyphenoxy]methyl]-5-methyl-1,3-oxazol-2-yl]benzoate
PubChem CID69214137
Molecular FormulaC21H21NO6
Molecular Weight383.40 g/mol
Exact Mass383.14
IUPAC Namemethyl 2-[4-[[4-(hydroxymethyl)-2-methoxyphenoxy]methyl]-5-methyl-1,3-oxazol-2-yl]benzoate
SMILESCOC(=O)c1ccccc1-c1nc(COc2ccc(CO)cc2OC)c(C)o1
InChIInChI=1S/C21H21NO6/c1-13-17(12-27-18-9-8-14(11-23)10-19(18)25-2)22-20(28-13)15-6-4-5-7-16(15)21(24)26-3/h4-10,23H,11-12H2,1-3H3
InChIKeyMNJUIURPAMWVFE-UHFFFAOYSA-N
XLogP3.52
TPSA91.02 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.40
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 2-[4-[[4-(hydroxymethyl)-2-methoxyphenoxy]methyl]-5-methyl-1,3-oxazol-2-yl]benzoate with MolForge

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Related Compounds

ethyl 2-[3-[4-[[4-(hydroxymethyl)-2-methoxyphenoxy]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]acetate
CID 86605727
[3-methoxy-4-[[5-methyl-2-(3-nitrophenyl)-1,3-oxazol-4-yl]methoxy]phenyl]methanol
CID 23076542
1-[3-methoxy-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]ethanone
CID 51333609
N-[(3,4-dimethoxyphenyl)methyl]-2-[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide
CID 110412894
2-hydroxy-1-[2-[[4-(hydroxymethyl)-2-methoxyphenoxy]methyl]-3-pyridinyl]ethanone
CID 166012347
3-[[3-methoxy-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]-1-methylpyrazole-4-carboxamide
CID 69217464
methyl 3-[4-[[4-(hydroxymethyl)phenoxy]methyl]-5-methyl-1,3-oxazol-2-yl]benzoate
CID 23076400
4-[[4-[3-(1,3-dioxolan-2-yl)propyl]-2-methoxyphenoxy]methyl]-5-methyl-2-phenyl-1,3-oxazole
CID 21224406
2-[[4-methoxy-3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]-2-phenylacetic acid
CID 91372333
4-[[4-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methoxy]-3-methoxyphenyl]methoxy]-2-phenylpyrimidine-5-carboxylic acid
CID 69216116
[1-benzyl-3-[[3-methoxy-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]pyrazol-4-yl]methanol
CID 69217757
2-[3-[[3-methoxy-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]-1-phenylpyrazol-4-yl]acetic acid
CID 69431218

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[[4-(hydroxymethyl)-2-methoxyphenoxy]methyl]-5-methyl-1,3-oxazol-2-yl]benzoate?
The IUPAC name of methyl 2-[4-[[4-(hydroxymethyl)-2-methoxyphenoxy]methyl]-5-methyl-1,3-oxazol-2-yl]benzoate (CID 69214137) is methyl 2-[4-[[4-(hydroxymethyl)-2-methoxyphenoxy]methyl]-5-methyl-1,3-oxazol-2-yl]benzoate.
What is the SMILES notation for methyl 2-[4-[[4-(hydroxymethyl)-2-methoxyphenoxy]methyl]-5-methyl-1,3-oxazol-2-yl]benzoate?
The canonical SMILES for methyl 2-[4-[[4-(hydroxymethyl)-2-methoxyphenoxy]methyl]-5-methyl-1,3-oxazol-2-yl]benzoate is COC(=O)c1ccccc1-c1nc(COc2ccc(CO)cc2OC)c(C)o1.
What is the InChIKey of methyl 2-[4-[[4-(hydroxymethyl)-2-methoxyphenoxy]methyl]-5-methyl-1,3-oxazol-2-yl]benzoate?
The InChIKey is MNJUIURPAMWVFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO6/c1-13-17(12-27-18-9-8-14(11-23)10-19(18)25-2)22-20(28-13)15-6-4-5-7-16(15)21(24)26-3/h4-10,23H,11-12H2,1-3H3.
What are the key properties of methyl 2-[4-[[4-(hydroxymethyl)-2-methoxyphenoxy]methyl]-5-methyl-1,3-oxazol-2-yl]benzoate?
methyl 2-[4-[[4-(hydroxymethyl)-2-methoxyphenoxy]methyl]-5-methyl-1,3-oxazol-2-yl]benzoate has a molecular weight of 383.40 g/mol, XLogP of 3.52, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[[4-(hydroxymethyl)-2-methoxyphenoxy]methyl]-5-methyl-1,3-oxazol-2-yl]benzoate is sourced from PubChem (CID 69214137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).