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

C13H14N2O5 — CID 71860945

IUPACethyl 5-[[(5-methyl-1,2-oxazole-3-carbonyl)amino]methyl]furan-2-carboxylate
SMILESCCOC(=O)c1ccc(CNC(=O)c2cc(C)on2)o1
InChIInChI=1S/C13H14N2O5/c1-3-18-13(17)11-5-4-9(19-11)7-14-12(16)10-6-8(2)20-15-10/h4-6H,3,7H2,1-2H3,(H,14,16)
InChIKeyGCMCDYYHWXAOFI-UHFFFAOYSA-N
MW278.26 g/mol
LogP1.68
Rot. Bonds5

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

ethyl 5-[[(5-methyl-1,2-oxazole-3-carbonyl)amino]methyl]furan-2-carboxylate (PubChem CID 71860945) has the molecular formula C13H14N2O5 and a molecular weight of 278.26 g/mol. Its IUPAC name is ethyl 5-[[(5-methyl-1,2-oxazole-3-carbonyl)amino]methyl]furan-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-[[(5-methyl-1,2-oxazole-3-carbonyl)amino]methyl]furan-2-carboxylate
PubChem CID71860945
Molecular FormulaC13H14N2O5
Molecular Weight278.26 g/mol
Exact Mass278.09
IUPAC Nameethyl 5-[[(5-methyl-1,2-oxazole-3-carbonyl)amino]methyl]furan-2-carboxylate
SMILESCCOC(=O)c1ccc(CNC(=O)c2cc(C)on2)o1
InChIInChI=1S/C13H14N2O5/c1-3-18-13(17)11-5-4-9(19-11)7-14-12(16)10-6-8(2)20-15-10/h4-6H,3,7H2,1-2H3,(H,14,16)
InChIKeyGCMCDYYHWXAOFI-UHFFFAOYSA-N
XLogP1.68
TPSA94.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.26
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-[[(5-methyl-1,2-oxazole-3-carbonyl)amino]methyl]furan-2-carboxylate?
The IUPAC name of ethyl 5-[[(5-methyl-1,2-oxazole-3-carbonyl)amino]methyl]furan-2-carboxylate (CID 71860945) is ethyl 5-[[(5-methyl-1,2-oxazole-3-carbonyl)amino]methyl]furan-2-carboxylate.
What is the SMILES notation for ethyl 5-[[(5-methyl-1,2-oxazole-3-carbonyl)amino]methyl]furan-2-carboxylate?
The canonical SMILES for ethyl 5-[[(5-methyl-1,2-oxazole-3-carbonyl)amino]methyl]furan-2-carboxylate is CCOC(=O)c1ccc(CNC(=O)c2cc(C)on2)o1.
What is the InChIKey of ethyl 5-[[(5-methyl-1,2-oxazole-3-carbonyl)amino]methyl]furan-2-carboxylate?
The InChIKey is GCMCDYYHWXAOFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O5/c1-3-18-13(17)11-5-4-9(19-11)7-14-12(16)10-6-8(2)20-15-10/h4-6H,3,7H2,1-2H3,(H,14,16).
What are the key properties of ethyl 5-[[(5-methyl-1,2-oxazole-3-carbonyl)amino]methyl]furan-2-carboxylate?
ethyl 5-[[(5-methyl-1,2-oxazole-3-carbonyl)amino]methyl]furan-2-carboxylate has a molecular weight of 278.26 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[[(5-methyl-1,2-oxazole-3-carbonyl)amino]methyl]furan-2-carboxylate is sourced from PubChem (CID 71860945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).