ethyl 4-(1,3-oxazol-5-ylmethylcarbamoylamino)benzoate

C14H15N3O4 — CID 135222659

IUPACethyl 4-(1,3-oxazol-5-ylmethylcarbamoylamino)benzoate
SMILESCCOC(=O)c1ccc(NC(=O)NCc2cnco2)cc1
InChIInChI=1S/C14H15N3O4/c1-2-20-13(18)10-3-5-11(6-4-10)17-14(19)16-8-12-7-15-9-21-12/h3-7,9H,2,8H2,1H3,(H2,16,17,19)
InChIKeyAADDHFWCNRZHEV-UHFFFAOYSA-N
MW289.29 g/mol
LogP2.17
Rot. Bonds5

About ethyl 4-(1,3-oxazol-5-ylmethylcarbamoylamino)benzoate

ethyl 4-(1,3-oxazol-5-ylmethylcarbamoylamino)benzoate (PubChem CID 135222659) has the molecular formula C14H15N3O4 and a molecular weight of 289.29 g/mol. Its IUPAC name is ethyl 4-(1,3-oxazol-5-ylmethylcarbamoylamino)benzoate.

Molecular Properties

Compound Nameethyl 4-(1,3-oxazol-5-ylmethylcarbamoylamino)benzoate
PubChem CID135222659
Molecular FormulaC14H15N3O4
Molecular Weight289.29 g/mol
Exact Mass289.11
IUPAC Nameethyl 4-(1,3-oxazol-5-ylmethylcarbamoylamino)benzoate
SMILESCCOC(=O)c1ccc(NC(=O)NCc2cnco2)cc1
InChIInChI=1S/C14H15N3O4/c1-2-20-13(18)10-3-5-11(6-4-10)17-14(19)16-8-12-7-15-9-21-12/h3-7,9H,2,8H2,1H3,(H2,16,17,19)
InChIKeyAADDHFWCNRZHEV-UHFFFAOYSA-N
XLogP2.17
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(1,3-oxazol-5-ylmethylcarbamoylamino)benzoate?
The IUPAC name of ethyl 4-(1,3-oxazol-5-ylmethylcarbamoylamino)benzoate (CID 135222659) is ethyl 4-(1,3-oxazol-5-ylmethylcarbamoylamino)benzoate.
What is the SMILES notation for ethyl 4-(1,3-oxazol-5-ylmethylcarbamoylamino)benzoate?
The canonical SMILES for ethyl 4-(1,3-oxazol-5-ylmethylcarbamoylamino)benzoate is CCOC(=O)c1ccc(NC(=O)NCc2cnco2)cc1.
What is the InChIKey of ethyl 4-(1,3-oxazol-5-ylmethylcarbamoylamino)benzoate?
The InChIKey is AADDHFWCNRZHEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O4/c1-2-20-13(18)10-3-5-11(6-4-10)17-14(19)16-8-12-7-15-9-21-12/h3-7,9H,2,8H2,1H3,(H2,16,17,19).
What are the key properties of ethyl 4-(1,3-oxazol-5-ylmethylcarbamoylamino)benzoate?
ethyl 4-(1,3-oxazol-5-ylmethylcarbamoylamino)benzoate has a molecular weight of 289.29 g/mol, XLogP of 2.17, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(1,3-oxazol-5-ylmethylcarbamoylamino)benzoate is sourced from PubChem (CID 135222659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).