2-[2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]phenoxy]acetic acid

C13H12N2O5 — CID 63747201

IUPAC2-[2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]phenoxy]acetic acid
SMILESCc1cc(C(=O)Nc2ccccc2OCC(=O)O)on1
InChIInChI=1S/C13H12N2O5/c1-8-6-11(20-15-8)13(18)14-9-4-2-3-5-10(9)19-7-12(16)17/h2-6H,7H2,1H3,(H,14,18)(H,16,17)
InChIKeyMLEJXLMVKVOPLJ-UHFFFAOYSA-N
MW276.25 g/mol
LogP1.70
Rot. Bonds5

About 2-[2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]phenoxy]acetic acid

2-[2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]phenoxy]acetic acid (PubChem CID 63747201) has the molecular formula C13H12N2O5 and a molecular weight of 276.25 g/mol. Its IUPAC name is 2-[2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]phenoxy]acetic acid
PubChem CID63747201
Molecular FormulaC13H12N2O5
Molecular Weight276.25 g/mol
Exact Mass276.07
IUPAC Name2-[2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]phenoxy]acetic acid
SMILESCc1cc(C(=O)Nc2ccccc2OCC(=O)O)on1
InChIInChI=1S/C13H12N2O5/c1-8-6-11(20-15-8)13(18)14-9-4-2-3-5-10(9)19-7-12(16)17/h2-6H,7H2,1H3,(H,14,18)(H,16,17)
InChIKeyMLEJXLMVKVOPLJ-UHFFFAOYSA-N
XLogP1.70
TPSA101.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.25
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-N-(2-prop-2-enoxyphenyl)-1,2-oxazole-5-carboxamide
CID 43911392
3-methyl-N-[2-(oxolan-2-ylmethoxy)phenyl]-1,2-oxazole-5-carboxamide
CID 43911417
N-(2-ethylphenyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 7669432
N-(2-aminophenyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 43600005
2-[2-[(5-methylfuran-3-carbonyl)amino]phenoxy]acetic acid
CID 114819008
3-methyl-N-[2-(propan-2-ylcarbamoyl)phenyl]-1,2-oxazole-5-carboxamide
CID 43911360
N-(3-hydroxy-2-methylphenyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 64793807
3-methyl-N-(2-phenylpyrimidin-5-yl)-1,2-oxazole-5-carboxamide
CID 134009492
2-[2-[(3,4-dichlorobenzoyl)amino]phenoxy]acetic acid
CID 22554
2-(3-methyl-1,2-oxazol-5-yl)-N-[2-(2-methylprop-2-enoxy)phenyl]acetamide
CID 131918480
3-methyl-N-(3-phenoxyphenyl)-1,2-oxazole-5-carboxamide
CID 51204920
2-chloro-6-[(3-methyl-1,2-oxazole-5-carbonyl)amino]benzoic acid
CID 63722414

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]phenoxy]acetic acid?
The IUPAC name of 2-[2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]phenoxy]acetic acid (CID 63747201) is 2-[2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]phenoxy]acetic acid.
What is the SMILES notation for 2-[2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]phenoxy]acetic acid?
The canonical SMILES for 2-[2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]phenoxy]acetic acid is Cc1cc(C(=O)Nc2ccccc2OCC(=O)O)on1.
What is the InChIKey of 2-[2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]phenoxy]acetic acid?
The InChIKey is MLEJXLMVKVOPLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O5/c1-8-6-11(20-15-8)13(18)14-9-4-2-3-5-10(9)19-7-12(16)17/h2-6H,7H2,1H3,(H,14,18)(H,16,17).
What are the key properties of 2-[2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]phenoxy]acetic acid?
2-[2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]phenoxy]acetic acid has a molecular weight of 276.25 g/mol, XLogP of 1.70, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]phenoxy]acetic acid is sourced from PubChem (CID 63747201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).