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

C20H19NO5 — CID 23076400

IUPACmethyl 3-[4-[[4-(hydroxymethyl)phenoxy]methyl]-5-methyl-1,3-oxazol-2-yl]benzoate
SMILESCOC(=O)c1cccc(-c2nc(COc3ccc(CO)cc3)c(C)o2)c1
InChIInChI=1S/C20H19NO5/c1-13-18(12-25-17-8-6-14(11-22)7-9-17)21-19(26-13)15-4-3-5-16(10-15)20(23)24-2/h3-10,22H,11-12H2,1-2H3
InChIKeyBGXHEPSSBPBOHU-UHFFFAOYSA-N
MW353.37 g/mol
LogP3.51
Rot. Bonds6

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

methyl 3-[4-[[4-(hydroxymethyl)phenoxy]methyl]-5-methyl-1,3-oxazol-2-yl]benzoate (PubChem CID 23076400) has the molecular formula C20H19NO5 and a molecular weight of 353.37 g/mol. Its IUPAC name is methyl 3-[4-[[4-(hydroxymethyl)phenoxy]methyl]-5-methyl-1,3-oxazol-2-yl]benzoate.

Molecular Properties

Compound Namemethyl 3-[4-[[4-(hydroxymethyl)phenoxy]methyl]-5-methyl-1,3-oxazol-2-yl]benzoate
PubChem CID23076400
Molecular FormulaC20H19NO5
Molecular Weight353.37 g/mol
Exact Mass353.13
IUPAC Namemethyl 3-[4-[[4-(hydroxymethyl)phenoxy]methyl]-5-methyl-1,3-oxazol-2-yl]benzoate
SMILESCOC(=O)c1cccc(-c2nc(COc3ccc(CO)cc3)c(C)o2)c1
InChIInChI=1S/C20H19NO5/c1-13-18(12-25-17-8-6-14(11-22)7-9-17)21-19(26-13)15-4-3-5-16(10-15)20(23)24-2/h3-10,22H,11-12H2,1-2H3
InChIKeyBGXHEPSSBPBOHU-UHFFFAOYSA-N
XLogP3.51
TPSA81.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.37
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

[3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methanol
CID 11140977
[4-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]methanol
CID 68886081
2-[3-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]phenyl]acetic acid
CID 68883980
methyl 2-[[4-[5-methyl-4-[(4-methylphenoxy)methyl]-1,3-oxazol-2-yl]benzoyl]amino]benzoate
CID 46277609
(2Z)-2-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxyimino]-2-phenylacetic acid
CID 11059278
[3-ethoxy-5-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methanol
CID 69427333
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 3-(methoxymethyl)benzoate
CID 18145195
methyl 2-hydroxy-2-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]acetate
CID 15280381
4-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxyamino]-4-phenylbut-3-enoic acid
CID 57276144
(2-hydroxy-4-methoxyphenyl)-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methanone
CID 68911275
ethyl 2-[3-[4-[[4-(hydroxymethyl)-2-methoxyphenoxy]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]acetate
CID 86605727
N-methyl-4-[5-methyl-4-[(4-methylphenoxy)methyl]-1,3-oxazol-2-yl]benzamide
CID 20916670

Frequently Asked Questions

What is the IUPAC name of methyl 3-[4-[[4-(hydroxymethyl)phenoxy]methyl]-5-methyl-1,3-oxazol-2-yl]benzoate?
The IUPAC name of methyl 3-[4-[[4-(hydroxymethyl)phenoxy]methyl]-5-methyl-1,3-oxazol-2-yl]benzoate (CID 23076400) is methyl 3-[4-[[4-(hydroxymethyl)phenoxy]methyl]-5-methyl-1,3-oxazol-2-yl]benzoate.
What is the SMILES notation for methyl 3-[4-[[4-(hydroxymethyl)phenoxy]methyl]-5-methyl-1,3-oxazol-2-yl]benzoate?
The canonical SMILES for methyl 3-[4-[[4-(hydroxymethyl)phenoxy]methyl]-5-methyl-1,3-oxazol-2-yl]benzoate is COC(=O)c1cccc(-c2nc(COc3ccc(CO)cc3)c(C)o2)c1.
What is the InChIKey of methyl 3-[4-[[4-(hydroxymethyl)phenoxy]methyl]-5-methyl-1,3-oxazol-2-yl]benzoate?
The InChIKey is BGXHEPSSBPBOHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO5/c1-13-18(12-25-17-8-6-14(11-22)7-9-17)21-19(26-13)15-4-3-5-16(10-15)20(23)24-2/h3-10,22H,11-12H2,1-2H3.
What are the key properties of methyl 3-[4-[[4-(hydroxymethyl)phenoxy]methyl]-5-methyl-1,3-oxazol-2-yl]benzoate?
methyl 3-[4-[[4-(hydroxymethyl)phenoxy]methyl]-5-methyl-1,3-oxazol-2-yl]benzoate has a molecular weight of 353.37 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[4-[[4-(hydroxymethyl)phenoxy]methyl]-5-methyl-1,3-oxazol-2-yl]benzoate is sourced from PubChem (CID 23076400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).