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

C12H18N2O4 — CID 15692979

IUPACethyl 5-(diethylcarbamoyl)-3-methyl-1,2-oxazole-4-carboxylate
SMILESCCOC(=O)c1c(C)noc1C(=O)N(CC)CC
InChIInChI=1S/C12H18N2O4/c1-5-14(6-2)11(15)10-9(8(4)13-18-10)12(16)17-7-3/h5-7H2,1-4H3
InChIKeyISGSYHBEHWJJRD-UHFFFAOYSA-N
MW254.29 g/mol
LogP1.64
Rot. Bonds5

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

ethyl 5-(diethylcarbamoyl)-3-methyl-1,2-oxazole-4-carboxylate (PubChem CID 15692979) has the molecular formula C12H18N2O4 and a molecular weight of 254.29 g/mol. Its IUPAC name is ethyl 5-(diethylcarbamoyl)-3-methyl-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-(diethylcarbamoyl)-3-methyl-1,2-oxazole-4-carboxylate
PubChem CID15692979
Molecular FormulaC12H18N2O4
Molecular Weight254.29 g/mol
Exact Mass254.13
IUPAC Nameethyl 5-(diethylcarbamoyl)-3-methyl-1,2-oxazole-4-carboxylate
SMILESCCOC(=O)c1c(C)noc1C(=O)N(CC)CC
InChIInChI=1S/C12H18N2O4/c1-5-14(6-2)11(15)10-9(8(4)13-18-10)12(16)17-7-3/h5-7H2,1-4H3
InChIKeyISGSYHBEHWJJRD-UHFFFAOYSA-N
XLogP1.64
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-(diethylcarbamoyl)-3-methyl-1,2-oxazole-4-carboxylate?
The IUPAC name of ethyl 5-(diethylcarbamoyl)-3-methyl-1,2-oxazole-4-carboxylate (CID 15692979) is ethyl 5-(diethylcarbamoyl)-3-methyl-1,2-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 5-(diethylcarbamoyl)-3-methyl-1,2-oxazole-4-carboxylate?
The canonical SMILES for ethyl 5-(diethylcarbamoyl)-3-methyl-1,2-oxazole-4-carboxylate is CCOC(=O)c1c(C)noc1C(=O)N(CC)CC.
What is the InChIKey of ethyl 5-(diethylcarbamoyl)-3-methyl-1,2-oxazole-4-carboxylate?
The InChIKey is ISGSYHBEHWJJRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4/c1-5-14(6-2)11(15)10-9(8(4)13-18-10)12(16)17-7-3/h5-7H2,1-4H3.
What are the key properties of ethyl 5-(diethylcarbamoyl)-3-methyl-1,2-oxazole-4-carboxylate?
ethyl 5-(diethylcarbamoyl)-3-methyl-1,2-oxazole-4-carboxylate has a molecular weight of 254.29 g/mol, XLogP of 1.64, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(diethylcarbamoyl)-3-methyl-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 15692979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).