ethyl 5-(ethylcarbamoylamino)-3-methyl-1,2-oxazole-4-carboxylate

C10H15N3O4 — CID 70611819

IUPACethyl 5-(ethylcarbamoylamino)-3-methyl-1,2-oxazole-4-carboxylate
SMILESCCNC(=O)Nc1onc(C)c1C(=O)OCC
InChIInChI=1S/C10H15N3O4/c1-4-11-10(15)12-8-7(6(3)13-17-8)9(14)16-5-2/h4-5H2,1-3H3,(H2,11,12,15)
InChIKeyUXTCDKJGQWBISD-UHFFFAOYSA-N
MW241.25 g/mol
LogP1.30
Rot. Bonds4

About ethyl 5-(ethylcarbamoylamino)-3-methyl-1,2-oxazole-4-carboxylate

ethyl 5-(ethylcarbamoylamino)-3-methyl-1,2-oxazole-4-carboxylate (PubChem CID 70611819) has the molecular formula C10H15N3O4 and a molecular weight of 241.25 g/mol. Its IUPAC name is ethyl 5-(ethylcarbamoylamino)-3-methyl-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-(ethylcarbamoylamino)-3-methyl-1,2-oxazole-4-carboxylate
PubChem CID70611819
Molecular FormulaC10H15N3O4
Molecular Weight241.25 g/mol
Exact Mass241.11
IUPAC Nameethyl 5-(ethylcarbamoylamino)-3-methyl-1,2-oxazole-4-carboxylate
SMILESCCNC(=O)Nc1onc(C)c1C(=O)OCC
InChIInChI=1S/C10H15N3O4/c1-4-11-10(15)12-8-7(6(3)13-17-8)9(14)16-5-2/h4-5H2,1-3H3,(H2,11,12,15)
InChIKeyUXTCDKJGQWBISD-UHFFFAOYSA-N
XLogP1.30
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-(ethylcarbamoylamino)-3-methyl-1,2-oxazole-4-carboxylate?
The IUPAC name of ethyl 5-(ethylcarbamoylamino)-3-methyl-1,2-oxazole-4-carboxylate (CID 70611819) is ethyl 5-(ethylcarbamoylamino)-3-methyl-1,2-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 5-(ethylcarbamoylamino)-3-methyl-1,2-oxazole-4-carboxylate?
The canonical SMILES for ethyl 5-(ethylcarbamoylamino)-3-methyl-1,2-oxazole-4-carboxylate is CCNC(=O)Nc1onc(C)c1C(=O)OCC.
What is the InChIKey of ethyl 5-(ethylcarbamoylamino)-3-methyl-1,2-oxazole-4-carboxylate?
The InChIKey is UXTCDKJGQWBISD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O4/c1-4-11-10(15)12-8-7(6(3)13-17-8)9(14)16-5-2/h4-5H2,1-3H3,(H2,11,12,15).
What are the key properties of ethyl 5-(ethylcarbamoylamino)-3-methyl-1,2-oxazole-4-carboxylate?
ethyl 5-(ethylcarbamoylamino)-3-methyl-1,2-oxazole-4-carboxylate has a molecular weight of 241.25 g/mol, XLogP of 1.30, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(ethylcarbamoylamino)-3-methyl-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 70611819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).