methyl 4-(1,2-oxazol-3-ylcarbamoylamino)benzoate

C12H11N3O4 — CID 108811946

IUPACmethyl 4-(1,2-oxazol-3-ylcarbamoylamino)benzoate
SMILESCOC(=O)c1ccc(NC(=O)Nc2ccon2)cc1
InChIInChI=1S/C12H11N3O4/c1-18-11(16)8-2-4-9(5-3-8)13-12(17)14-10-6-7-19-15-10/h2-7H,1H3,(H2,13,14,15,17)
InChIKeyUBCBYXWMCYRHFR-UHFFFAOYSA-N
MW261.24 g/mol
LogP2.11
Rot. Bonds3

About methyl 4-(1,2-oxazol-3-ylcarbamoylamino)benzoate

methyl 4-(1,2-oxazol-3-ylcarbamoylamino)benzoate (PubChem CID 108811946) has the molecular formula C12H11N3O4 and a molecular weight of 261.24 g/mol. Its IUPAC name is methyl 4-(1,2-oxazol-3-ylcarbamoylamino)benzoate.

Molecular Properties

Compound Namemethyl 4-(1,2-oxazol-3-ylcarbamoylamino)benzoate
PubChem CID108811946
Molecular FormulaC12H11N3O4
Molecular Weight261.24 g/mol
Exact Mass261.07
IUPAC Namemethyl 4-(1,2-oxazol-3-ylcarbamoylamino)benzoate
SMILESCOC(=O)c1ccc(NC(=O)Nc2ccon2)cc1
InChIInChI=1S/C12H11N3O4/c1-18-11(16)8-2-4-9(5-3-8)13-12(17)14-10-6-7-19-15-10/h2-7H,1H3,(H2,13,14,15,17)
InChIKeyUBCBYXWMCYRHFR-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

1-(3-chloro-4-methoxyphenyl)-3-(1,2-oxazol-3-yl)urea
CID 108811787
methyl 4-[(4-fluorophenyl)carbamoylamino]benzoate
CID 2402760
1-(3-methylphenyl)-3-(1,2-oxazol-3-yl)urea
CID 108811855
methyl 4-(quinoxalin-6-ylcarbamoylamino)benzoate
CID 3934673
1-(1,2-oxazol-3-yl)-3-[4-[1-(propylamino)ethyl]phenyl]urea
CID 62902901
methyl 4-[[5-[(4-methoxycarbonylphenyl)carbamoylamino]-2,6-dimethyl-3-pyridinyl]carbamoylamino]benzoate
CID 23605079
methyl 2-(1,2-oxazol-3-ylamino)-2-oxoacetate
CID 112617179
2-methoxy-2-methyl-N-(1,2-oxazol-3-yl)propanamide
CID 104580759
1-[4-(4-amino-6-chloro-5-methylsulfanylpyrimidin-2-yl)phenyl]-3-(1,2-oxazol-3-yl)urea
CID 88918742
methyl 4-[[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]carbamoylamino]benzoate
CID 46387997
methyl 4-(cyanomethylcarbamoylamino)benzoate
CID 108864803
methyl 4-(pyridine-4-carbonylamino)benzoate;hydrochloride
CID 110756565

Frequently Asked Questions

What is the IUPAC name of methyl 4-(1,2-oxazol-3-ylcarbamoylamino)benzoate?
The IUPAC name of methyl 4-(1,2-oxazol-3-ylcarbamoylamino)benzoate (CID 108811946) is methyl 4-(1,2-oxazol-3-ylcarbamoylamino)benzoate.
What is the SMILES notation for methyl 4-(1,2-oxazol-3-ylcarbamoylamino)benzoate?
The canonical SMILES for methyl 4-(1,2-oxazol-3-ylcarbamoylamino)benzoate is COC(=O)c1ccc(NC(=O)Nc2ccon2)cc1.
What is the InChIKey of methyl 4-(1,2-oxazol-3-ylcarbamoylamino)benzoate?
The InChIKey is UBCBYXWMCYRHFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O4/c1-18-11(16)8-2-4-9(5-3-8)13-12(17)14-10-6-7-19-15-10/h2-7H,1H3,(H2,13,14,15,17).
What are the key properties of methyl 4-(1,2-oxazol-3-ylcarbamoylamino)benzoate?
methyl 4-(1,2-oxazol-3-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 4-(1,2-oxazol-3-ylcarbamoylamino)benzoate is sourced from PubChem (CID 108811946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).