ethyl 4-[(5-methyl-1,2-oxazol-3-yl)carbamoylamino]benzoate

C14H15N3O4 — CID 972242

IUPACethyl 4-[(5-methyl-1,2-oxazol-3-yl)carbamoylamino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)Nc2cc(C)on2)cc1
InChIInChI=1S/C14H15N3O4/c1-3-20-13(18)10-4-6-11(7-5-10)15-14(19)16-12-8-9(2)21-17-12/h4-8H,3H2,1-2H3,(H2,15,16,17,19)
InChIKeyXSFUSTXAJXCYFV-UHFFFAOYSA-N
MW289.29 g/mol
LogP2.80
Rot. Bonds4

About ethyl 4-[(5-methyl-1,2-oxazol-3-yl)carbamoylamino]benzoate

ethyl 4-[(5-methyl-1,2-oxazol-3-yl)carbamoylamino]benzoate (PubChem CID 972242) has the molecular formula C14H15N3O4 and a molecular weight of 289.29 g/mol. Its IUPAC name is ethyl 4-[(5-methyl-1,2-oxazol-3-yl)carbamoylamino]benzoate.

Molecular Properties

Compound Nameethyl 4-[(5-methyl-1,2-oxazol-3-yl)carbamoylamino]benzoate
PubChem CID972242
Molecular FormulaC14H15N3O4
Molecular Weight289.29 g/mol
Exact Mass289.11
IUPAC Nameethyl 4-[(5-methyl-1,2-oxazol-3-yl)carbamoylamino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)Nc2cc(C)on2)cc1
InChIInChI=1S/C14H15N3O4/c1-3-20-13(18)10-4-6-11(7-5-10)15-14(19)16-12-8-9(2)21-17-12/h4-8H,3H2,1-2H3,(H2,15,16,17,19)
InChIKeyXSFUSTXAJXCYFV-UHFFFAOYSA-N
XLogP2.80
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(5-methyl-1,2-oxazol-3-yl)carbamoylamino]benzoate?
The IUPAC name of ethyl 4-[(5-methyl-1,2-oxazol-3-yl)carbamoylamino]benzoate (CID 972242) is ethyl 4-[(5-methyl-1,2-oxazol-3-yl)carbamoylamino]benzoate.
What is the SMILES notation for ethyl 4-[(5-methyl-1,2-oxazol-3-yl)carbamoylamino]benzoate?
The canonical SMILES for ethyl 4-[(5-methyl-1,2-oxazol-3-yl)carbamoylamino]benzoate is CCOC(=O)c1ccc(NC(=O)Nc2cc(C)on2)cc1.
What is the InChIKey of ethyl 4-[(5-methyl-1,2-oxazol-3-yl)carbamoylamino]benzoate?
The InChIKey is XSFUSTXAJXCYFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O4/c1-3-20-13(18)10-4-6-11(7-5-10)15-14(19)16-12-8-9(2)21-17-12/h4-8H,3H2,1-2H3,(H2,15,16,17,19).
What are the key properties of ethyl 4-[(5-methyl-1,2-oxazol-3-yl)carbamoylamino]benzoate?
ethyl 4-[(5-methyl-1,2-oxazol-3-yl)carbamoylamino]benzoate has a molecular weight of 289.29 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(5-methyl-1,2-oxazol-3-yl)carbamoylamino]benzoate is sourced from PubChem (CID 972242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).