ethyl 1-[(2-ethyl-4-methyl-1,3-oxazole-5-carbonyl)amino]cyclobutane-1-carboxylate

C14H20N2O4 — CID 50971554

IUPACethyl 1-[(2-ethyl-4-methyl-1,3-oxazole-5-carbonyl)amino]cyclobutane-1-carboxylate
SMILESCCOC(=O)C1(NC(=O)c2oc(CC)nc2C)CCC1
InChIInChI=1S/C14H20N2O4/c1-4-10-15-9(3)11(20-10)12(17)16-14(7-6-8-14)13(18)19-5-2/h4-8H2,1-3H3,(H,16,17)
InChIKeyFGXUAKVTRDTOHL-UHFFFAOYSA-N
MW280.32 g/mol
LogP1.76
Rot. Bonds5

About ethyl 1-[(2-ethyl-4-methyl-1,3-oxazole-5-carbonyl)amino]cyclobutane-1-carboxylate

ethyl 1-[(2-ethyl-4-methyl-1,3-oxazole-5-carbonyl)amino]cyclobutane-1-carboxylate (PubChem CID 50971554) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is ethyl 1-[(2-ethyl-4-methyl-1,3-oxazole-5-carbonyl)amino]cyclobutane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(2-ethyl-4-methyl-1,3-oxazole-5-carbonyl)amino]cyclobutane-1-carboxylate
PubChem CID50971554
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Nameethyl 1-[(2-ethyl-4-methyl-1,3-oxazole-5-carbonyl)amino]cyclobutane-1-carboxylate
SMILESCCOC(=O)C1(NC(=O)c2oc(CC)nc2C)CCC1
InChIInChI=1S/C14H20N2O4/c1-4-10-15-9(3)11(20-10)12(17)16-14(7-6-8-14)13(18)19-5-2/h4-8H2,1-3H3,(H,16,17)
InChIKeyFGXUAKVTRDTOHL-UHFFFAOYSA-N
XLogP1.76
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(2-ethyl-4-methyl-1,3-oxazole-5-carbonyl)amino]cyclobutane-1-carboxylate?
The IUPAC name of ethyl 1-[(2-ethyl-4-methyl-1,3-oxazole-5-carbonyl)amino]cyclobutane-1-carboxylate (CID 50971554) is ethyl 1-[(2-ethyl-4-methyl-1,3-oxazole-5-carbonyl)amino]cyclobutane-1-carboxylate.
What is the SMILES notation for ethyl 1-[(2-ethyl-4-methyl-1,3-oxazole-5-carbonyl)amino]cyclobutane-1-carboxylate?
The canonical SMILES for ethyl 1-[(2-ethyl-4-methyl-1,3-oxazole-5-carbonyl)amino]cyclobutane-1-carboxylate is CCOC(=O)C1(NC(=O)c2oc(CC)nc2C)CCC1.
What is the InChIKey of ethyl 1-[(2-ethyl-4-methyl-1,3-oxazole-5-carbonyl)amino]cyclobutane-1-carboxylate?
The InChIKey is FGXUAKVTRDTOHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-4-10-15-9(3)11(20-10)12(17)16-14(7-6-8-14)13(18)19-5-2/h4-8H2,1-3H3,(H,16,17).
What are the key properties of ethyl 1-[(2-ethyl-4-methyl-1,3-oxazole-5-carbonyl)amino]cyclobutane-1-carboxylate?
ethyl 1-[(2-ethyl-4-methyl-1,3-oxazole-5-carbonyl)amino]cyclobutane-1-carboxylate has a molecular weight of 280.32 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(2-ethyl-4-methyl-1,3-oxazole-5-carbonyl)amino]cyclobutane-1-carboxylate is sourced from PubChem (CID 50971554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).