2-[3-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]acetic acid

C13H13NO4 — CID 61398198

IUPAC2-[3-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]acetic acid
SMILESCc1cc(COc2cccc(CC(=O)O)c2)on1
InChIInChI=1S/C13H13NO4/c1-9-5-12(18-14-9)8-17-11-4-2-3-10(6-11)7-13(15)16/h2-6H,7-8H2,1H3,(H,15,16)
InChIKeyFVHXNUMOZBQDME-UHFFFAOYSA-N
MW247.25 g/mol
LogP2.19
Rot. Bonds5

About 2-[3-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]acetic acid

2-[3-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]acetic acid (PubChem CID 61398198) has the molecular formula C13H13NO4 and a molecular weight of 247.25 g/mol. Its IUPAC name is 2-[3-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]acetic acid
PubChem CID61398198
Molecular FormulaC13H13NO4
Molecular Weight247.25 g/mol
Exact Mass247.08
IUPAC Name2-[3-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]acetic acid
SMILESCc1cc(COc2cccc(CC(=O)O)c2)on1
InChIInChI=1S/C13H13NO4/c1-9-5-12(18-14-9)8-17-11-4-2-3-10(6-11)7-13(15)16/h2-6H,7-8H2,1H3,(H,15,16)
InChIKeyFVHXNUMOZBQDME-UHFFFAOYSA-N
XLogP2.19
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenol
CID 43143519
5-[(3-fluorophenoxy)methyl]-3-methyl-1,2-oxazole
CID 60681199
2-[3-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]acetic acid
CID 61495355
2-(3-trimethylsilyloxyphenyl)acetic acid
CID 167737399
2-[3-[(2-methoxycarbonylphenyl)methoxy]phenyl]acetic acid
CID 68872970
ethane;2-[3-[(5-ethyl-2-methyl-1,3-oxazol-4-yl)methoxy]phenyl]acetic acid
CID 157375212
2-[3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]acetic acid
CID 61496904
2-[3-(2,2-difluoropropoxy)phenyl]acetic acid
CID 84693368
2-[3-(bromomethoxy)phenyl]acetic acid
CID 151200250
5-[(2,6-dimethylphenoxy)methyl]-3-methyl-1,2-oxazole
CID 78913723
2-[3-(ethoxymethoxy)phenyl]acetic acid
CID 65364927
3-methyl-5-[[2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenoxy]methyl]-1,2-oxazole
CID 2192631

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]acetic acid?
The IUPAC name of 2-[3-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]acetic acid (CID 61398198) is 2-[3-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]acetic acid.
What is the SMILES notation for 2-[3-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]acetic acid?
The canonical SMILES for 2-[3-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]acetic acid is Cc1cc(COc2cccc(CC(=O)O)c2)on1.
What is the InChIKey of 2-[3-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]acetic acid?
The InChIKey is FVHXNUMOZBQDME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO4/c1-9-5-12(18-14-9)8-17-11-4-2-3-10(6-11)7-13(15)16/h2-6H,7-8H2,1H3,(H,15,16).
What are the key properties of 2-[3-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]acetic acid?
2-[3-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]acetic acid has a molecular weight of 247.25 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]acetic acid is sourced from PubChem (CID 61398198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).