methyl 2-(1,2-oxazol-5-ylcarbamoylamino)benzoate

C12H11N3O4 — CID 108814002

IUPACmethyl 2-(1,2-oxazol-5-ylcarbamoylamino)benzoate
SMILESCOC(=O)c1ccccc1NC(=O)Nc1ccno1
InChIInChI=1S/C12H11N3O4/c1-18-11(16)8-4-2-3-5-9(8)14-12(17)15-10-6-7-13-19-10/h2-7H,1H3,(H2,14,15,17)
InChIKeyQGMCDKBYMSYFMK-UHFFFAOYSA-N
MW261.24 g/mol
LogP2.11
Rot. Bonds3

About methyl 2-(1,2-oxazol-5-ylcarbamoylamino)benzoate

methyl 2-(1,2-oxazol-5-ylcarbamoylamino)benzoate (PubChem CID 108814002) has the molecular formula C12H11N3O4 and a molecular weight of 261.24 g/mol. Its IUPAC name is methyl 2-(1,2-oxazol-5-ylcarbamoylamino)benzoate.

Molecular Properties

Compound Namemethyl 2-(1,2-oxazol-5-ylcarbamoylamino)benzoate
PubChem CID108814002
Molecular FormulaC12H11N3O4
Molecular Weight261.24 g/mol
Exact Mass261.07
IUPAC Namemethyl 2-(1,2-oxazol-5-ylcarbamoylamino)benzoate
SMILESCOC(=O)c1ccccc1NC(=O)Nc1ccno1
InChIInChI=1S/C12H11N3O4/c1-18-11(16)8-4-2-3-5-9(8)14-12(17)15-10-6-7-13-19-10/h2-7H,1H3,(H2,14,15,17)
InChIKeyQGMCDKBYMSYFMK-UHFFFAOYSA-N
XLogP2.11
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.24
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1,2-oxazol-5-ylcarbamoylamino)benzamide
CID 108814132
methyl 2-[(2-propan-2-ylphenyl)carbamoylamino]benzoate
CID 22301794
methyl 2-[(2-fluoro-2-phenylacetyl)amino]benzoate
CID 10493506
methyl 2-[(3,4-difluorophenyl)carbamoylamino]benzoate
CID 108992340
methyl 2-[(4-acetylphenyl)carbamoylamino]benzoate
CID 108992262
methyl 2-[[2-(2-bromopropanoylamino)benzoyl]amino]benzoate
CID 11761289
methyl 2-[(2-phenoxyphenyl)carbamoylamino]benzoate
CID 108992330
methyl 2-(thiophen-2-ylcarbamoylamino)benzoate
CID 3235857
methyl 2-(methylamino)benzoate;hydrochloride
CID 141440626
methyl 2-(2-phenylpropanoylamino)benzoate
CID 68817246
methyl 2-[(2-methylpropan-2-yl)oxycarbamoylamino]benzoate
CID 87422659
methyl 2-[(2,5-dichlorophenyl)carbamoylamino]benzoate
CID 12761941

Frequently Asked Questions

What is the IUPAC name of methyl 2-(1,2-oxazol-5-ylcarbamoylamino)benzoate?
The IUPAC name of methyl 2-(1,2-oxazol-5-ylcarbamoylamino)benzoate (CID 108814002) is methyl 2-(1,2-oxazol-5-ylcarbamoylamino)benzoate.
What is the SMILES notation for methyl 2-(1,2-oxazol-5-ylcarbamoylamino)benzoate?
The canonical SMILES for methyl 2-(1,2-oxazol-5-ylcarbamoylamino)benzoate is COC(=O)c1ccccc1NC(=O)Nc1ccno1.
What is the InChIKey of methyl 2-(1,2-oxazol-5-ylcarbamoylamino)benzoate?
The InChIKey is QGMCDKBYMSYFMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O4/c1-18-11(16)8-4-2-3-5-9(8)14-12(17)15-10-6-7-13-19-10/h2-7H,1H3,(H2,14,15,17).
What are the key properties of methyl 2-(1,2-oxazol-5-ylcarbamoylamino)benzoate?
methyl 2-(1,2-oxazol-5-ylcarbamoylamino)benzoate has a molecular weight of 261.24 g/mol, XLogP of 2.11, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1,2-oxazol-5-ylcarbamoylamino)benzoate is sourced from PubChem (CID 108814002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).