methyl 2-[3-(1,2-oxazole-5-carbonylamino)phenoxy]acetate

C13H12N2O5 — CID 61057722

IUPACmethyl 2-[3-(1,2-oxazole-5-carbonylamino)phenoxy]acetate
SMILESCOC(=O)COc1cccc(NC(=O)c2ccno2)c1
InChIInChI=1S/C13H12N2O5/c1-18-12(16)8-19-10-4-2-3-9(7-10)15-13(17)11-5-6-14-20-11/h2-7H,8H2,1H3,(H,15,17)
InChIKeySMJRYXJGCPAZKJ-UHFFFAOYSA-N
MW276.25 g/mol
LogP1.48
Rot. Bonds5

About methyl 2-[3-(1,2-oxazole-5-carbonylamino)phenoxy]acetate

methyl 2-[3-(1,2-oxazole-5-carbonylamino)phenoxy]acetate (PubChem CID 61057722) has the molecular formula C13H12N2O5 and a molecular weight of 276.25 g/mol. Its IUPAC name is methyl 2-[3-(1,2-oxazole-5-carbonylamino)phenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[3-(1,2-oxazole-5-carbonylamino)phenoxy]acetate
PubChem CID61057722
Molecular FormulaC13H12N2O5
Molecular Weight276.25 g/mol
Exact Mass276.07
IUPAC Namemethyl 2-[3-(1,2-oxazole-5-carbonylamino)phenoxy]acetate
SMILESCOC(=O)COc1cccc(NC(=O)c2ccno2)c1
InChIInChI=1S/C13H12N2O5/c1-18-12(16)8-19-10-4-2-3-9(7-10)15-13(17)11-5-6-14-20-11/h2-7H,8H2,1H3,(H,15,17)
InChIKeySMJRYXJGCPAZKJ-UHFFFAOYSA-N
XLogP1.48
TPSA90.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.25
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-(1,2-oxazole-5-carbonylamino)phenoxy]acetic acid
CID 55148878
N-(3-methoxyphenyl)-1,2-oxazole-5-carboxamide
CID 110693653
methyl 2-[3-[(4-methyl-1,3-oxazole-5-carbonyl)amino]phenoxy]acetate
CID 79489953
methyl 2-[3-[(3,5-dimethoxybenzoyl)amino]phenoxy]acetate
CID 973408
N-[3-(hydroxymethyl)phenyl]-1,2-oxazole-5-carboxamide
CID 60630049
2-[[3-(2-methoxy-2-oxoethoxy)phenyl]carbamoyl]benzoic acid
CID 17359941
methyl 2-[3-(diethylcarbamoylamino)phenoxy]acetate
CID 112728907
methyl 2-[3-[(2-phenylacetyl)amino]phenoxy]acetate
CID 891990
methyl 2-[3-[[2-(4-fluorophenoxy)acetyl]amino]phenoxy]acetate
CID 17341883
methyl 2-[3-(2-methoxy-2-oxoethoxy)phenoxy]acetate
CID 6420588
methyl 2-[3-[(2-ethoxybenzoyl)amino]phenoxy]acetate
CID 46416869
methyl 2-[3-[(2,2-diphenylacetyl)amino]phenoxy]acetate
CID 1301261

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-(1,2-oxazole-5-carbonylamino)phenoxy]acetate?
The IUPAC name of methyl 2-[3-(1,2-oxazole-5-carbonylamino)phenoxy]acetate (CID 61057722) is methyl 2-[3-(1,2-oxazole-5-carbonylamino)phenoxy]acetate.
What is the SMILES notation for methyl 2-[3-(1,2-oxazole-5-carbonylamino)phenoxy]acetate?
The canonical SMILES for methyl 2-[3-(1,2-oxazole-5-carbonylamino)phenoxy]acetate is COC(=O)COc1cccc(NC(=O)c2ccno2)c1.
What is the InChIKey of methyl 2-[3-(1,2-oxazole-5-carbonylamino)phenoxy]acetate?
The InChIKey is SMJRYXJGCPAZKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O5/c1-18-12(16)8-19-10-4-2-3-9(7-10)15-13(17)11-5-6-14-20-11/h2-7H,8H2,1H3,(H,15,17).
What are the key properties of methyl 2-[3-(1,2-oxazole-5-carbonylamino)phenoxy]acetate?
methyl 2-[3-(1,2-oxazole-5-carbonylamino)phenoxy]acetate has a molecular weight of 276.25 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-(1,2-oxazole-5-carbonylamino)phenoxy]acetate is sourced from PubChem (CID 61057722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).