methyl 2-[3-[[2-(1,2-oxazol-3-yl)acetyl]amino]phenyl]acetate

C14H14N2O4 — CID 75382180

IUPACmethyl 2-[3-[[2-(1,2-oxazol-3-yl)acetyl]amino]phenyl]acetate
SMILESCOC(=O)Cc1cccc(NC(=O)Cc2ccon2)c1
InChIInChI=1S/C14H14N2O4/c1-19-14(18)8-10-3-2-4-11(7-10)15-13(17)9-12-5-6-20-16-12/h2-7H,8-9H2,1H3,(H,15,17)
InChIKeyOZCYAEFZUXQAMG-UHFFFAOYSA-N
MW274.28 g/mol
LogP1.57
Rot. Bonds5

About methyl 2-[3-[[2-(1,2-oxazol-3-yl)acetyl]amino]phenyl]acetate

methyl 2-[3-[[2-(1,2-oxazol-3-yl)acetyl]amino]phenyl]acetate (PubChem CID 75382180) has the molecular formula C14H14N2O4 and a molecular weight of 274.28 g/mol. Its IUPAC name is methyl 2-[3-[[2-(1,2-oxazol-3-yl)acetyl]amino]phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[3-[[2-(1,2-oxazol-3-yl)acetyl]amino]phenyl]acetate
PubChem CID75382180
Molecular FormulaC14H14N2O4
Molecular Weight274.28 g/mol
Exact Mass274.10
IUPAC Namemethyl 2-[3-[[2-(1,2-oxazol-3-yl)acetyl]amino]phenyl]acetate
SMILESCOC(=O)Cc1cccc(NC(=O)Cc2ccon2)c1
InChIInChI=1S/C14H14N2O4/c1-19-14(18)8-10-3-2-4-11(7-10)15-13(17)9-12-5-6-20-16-12/h2-7H,8-9H2,1H3,(H,15,17)
InChIKeyOZCYAEFZUXQAMG-UHFFFAOYSA-N
XLogP1.57
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-methylphenyl)-N-(1,2-oxazol-3-yl)acetamide
CID 6467231
N-(4-bromophenyl)-2-(1,2-oxazol-3-yl)acetamide
CID 110859681
methyl 2-[3-[[(2R)-2-aminopropanoyl]amino]phenyl]acetate;hydrochloride
CID 119322800
N-(1,2-oxazol-3-yl)-2-(3-propan-2-yloxyphenyl)acetamide
CID 75399150
methyl 2-[3-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]phenyl]acetate
CID 99588705
N-[3-(bromomethyl)phenyl]-2-(3-methoxyphenyl)acetamide
CID 114307304
methyl 2-[3-(naphthalene-2-carbonylamino)phenyl]acetate
CID 70091613
methyl 2-[3-[(2-phenylacetyl)amino]phenoxy]acetate
CID 891990
methyl 2-[4-(1,2-oxazol-3-ylmethylsulfamoyl)phenyl]acetate
CID 79481288
2-(3-methoxyphenyl)-N-phenylacetamide
CID 2598681
2-[4-(aminomethyl)phenyl]-N-(3-ethylphenyl)acetamide
CID 63589585
methyl 2-[3-[[(1R)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]amino]phenyl]acetate
CID 99836598

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-[[2-(1,2-oxazol-3-yl)acetyl]amino]phenyl]acetate?
The IUPAC name of methyl 2-[3-[[2-(1,2-oxazol-3-yl)acetyl]amino]phenyl]acetate (CID 75382180) is methyl 2-[3-[[2-(1,2-oxazol-3-yl)acetyl]amino]phenyl]acetate.
What is the SMILES notation for methyl 2-[3-[[2-(1,2-oxazol-3-yl)acetyl]amino]phenyl]acetate?
The canonical SMILES for methyl 2-[3-[[2-(1,2-oxazol-3-yl)acetyl]amino]phenyl]acetate is COC(=O)Cc1cccc(NC(=O)Cc2ccon2)c1.
What is the InChIKey of methyl 2-[3-[[2-(1,2-oxazol-3-yl)acetyl]amino]phenyl]acetate?
The InChIKey is OZCYAEFZUXQAMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4/c1-19-14(18)8-10-3-2-4-11(7-10)15-13(17)9-12-5-6-20-16-12/h2-7H,8-9H2,1H3,(H,15,17).
What are the key properties of methyl 2-[3-[[2-(1,2-oxazol-3-yl)acetyl]amino]phenyl]acetate?
methyl 2-[3-[[2-(1,2-oxazol-3-yl)acetyl]amino]phenyl]acetate has a molecular weight of 274.28 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-[[2-(1,2-oxazol-3-yl)acetyl]amino]phenyl]acetate is sourced from PubChem (CID 75382180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).