2-[2-(phenoxymethyl)-1,3-oxazol-4-yl]acetic acid

C12H11NO4 — CID 82128961

IUPAC2-[2-(phenoxymethyl)-1,3-oxazol-4-yl]acetic acid
SMILESO=C(O)Cc1coc(COc2ccccc2)n1
InChIInChI=1S/C12H11NO4/c14-12(15)6-9-7-17-11(13-9)8-16-10-4-2-1-3-5-10/h1-5,7H,6,8H2,(H,14,15)
InChIKeyCBEVDHDSPODWMX-UHFFFAOYSA-N
MW233.22 g/mol
LogP1.88
Rot. Bonds5

About 2-[2-(phenoxymethyl)-1,3-oxazol-4-yl]acetic acid

2-[2-(phenoxymethyl)-1,3-oxazol-4-yl]acetic acid (PubChem CID 82128961) has the molecular formula C12H11NO4 and a molecular weight of 233.22 g/mol. Its IUPAC name is 2-[2-(phenoxymethyl)-1,3-oxazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(phenoxymethyl)-1,3-oxazol-4-yl]acetic acid
PubChem CID82128961
Molecular FormulaC12H11NO4
Molecular Weight233.22 g/mol
Exact Mass233.07
IUPAC Name2-[2-(phenoxymethyl)-1,3-oxazol-4-yl]acetic acid
SMILESO=C(O)Cc1coc(COc2ccccc2)n1
InChIInChI=1S/C12H11NO4/c14-12(15)6-9-7-17-11(13-9)8-16-10-4-2-1-3-5-10/h1-5,7H,6,8H2,(H,14,15)
InChIKeyCBEVDHDSPODWMX-UHFFFAOYSA-N
XLogP1.88
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.22
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[(3,5-dimethylphenoxy)methyl]-1,3-oxazol-4-yl]acetic acid
CID 82133006
2-[2-(chloromethyl)-1,3-oxazol-4-yl]acetic acid
CID 174696491
2-(naphthalen-2-yloxymethyl)-1,3-oxazole-4-carboxylic acid
CID 82305472
2-[2-(3-methoxypropyl)-1,3-oxazol-4-yl]acetic acid
CID 115081943
2-[(4-ethoxyphenoxy)methyl]-1,3-oxazole-4-carboxylic acid
CID 95469386
2-[2-[(4-methylphenyl)methyl]-1,3-oxazol-4-yl]acetic acid
CID 115084165
2-(phenoxymethyl)-N-(2-pyrazin-2-ylethyl)-1,3-oxazole-4-carboxamide
CID 42348179
2-[4-(phenoxymethyl)phenyl]acetic acid
CID 12832053
N-[(2-methoxyphenyl)methyl]-N-methyl-2-(phenoxymethyl)-1,3-oxazole-4-carboxamide
CID 42415544
2-(phenoxymethyl)-N-(1-pyrazin-2-ylpropan-2-yl)-1,3-oxazole-4-carboxamide
CID 45236623
3-[(4-bromo-1,3-oxazol-2-yl)methoxy]phenol
CID 117186731
naphthalene;2-phenoxyacetic acid
CID 175275275

Frequently Asked Questions

What is the IUPAC name of 2-[2-(phenoxymethyl)-1,3-oxazol-4-yl]acetic acid?
The IUPAC name of 2-[2-(phenoxymethyl)-1,3-oxazol-4-yl]acetic acid (CID 82128961) is 2-[2-(phenoxymethyl)-1,3-oxazol-4-yl]acetic acid.
What is the SMILES notation for 2-[2-(phenoxymethyl)-1,3-oxazol-4-yl]acetic acid?
The canonical SMILES for 2-[2-(phenoxymethyl)-1,3-oxazol-4-yl]acetic acid is O=C(O)Cc1coc(COc2ccccc2)n1.
What is the InChIKey of 2-[2-(phenoxymethyl)-1,3-oxazol-4-yl]acetic acid?
The InChIKey is CBEVDHDSPODWMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO4/c14-12(15)6-9-7-17-11(13-9)8-16-10-4-2-1-3-5-10/h1-5,7H,6,8H2,(H,14,15).
What are the key properties of 2-[2-(phenoxymethyl)-1,3-oxazol-4-yl]acetic acid?
2-[2-(phenoxymethyl)-1,3-oxazol-4-yl]acetic acid has a molecular weight of 233.22 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(phenoxymethyl)-1,3-oxazol-4-yl]acetic acid is sourced from PubChem (CID 82128961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).