[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate

C13H14N2O5 — CID 2584366

IUPAC[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate
SMILESCc1cc(NC(=O)COC(=O)c2cc(C)oc2C)no1
InChIInChI=1S/C13H14N2O5/c1-7-4-10(9(3)19-7)13(17)18-6-12(16)14-11-5-8(2)20-15-11/h4-5H,6H2,1-3H3,(H,14,15,16)
InChIKeyTUVCOOPKHTYVTE-UHFFFAOYSA-N
MW278.26 g/mol
LogP1.99
Rot. Bonds4

About [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate

[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate (PubChem CID 2584366) has the molecular formula C13H14N2O5 and a molecular weight of 278.26 g/mol. Its IUPAC name is [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate.

Molecular Properties

Compound Name[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate
PubChem CID2584366
Molecular FormulaC13H14N2O5
Molecular Weight278.26 g/mol
Exact Mass278.09
IUPAC Name[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate
SMILESCc1cc(NC(=O)COC(=O)c2cc(C)oc2C)no1
InChIInChI=1S/C13H14N2O5/c1-7-4-10(9(3)19-7)13(17)18-6-12(16)14-11-5-8(2)20-15-11/h4-5H,6H2,1-3H3,(H,14,15,16)
InChIKeyTUVCOOPKHTYVTE-UHFFFAOYSA-N
XLogP1.99
TPSA94.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.26
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate?
The IUPAC name of [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate (CID 2584366) is [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate.
What is the SMILES notation for [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate?
The canonical SMILES for [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate is Cc1cc(NC(=O)COC(=O)c2cc(C)oc2C)no1.
What is the InChIKey of [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate?
The InChIKey is TUVCOOPKHTYVTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O5/c1-7-4-10(9(3)19-7)13(17)18-6-12(16)14-11-5-8(2)20-15-11/h4-5H,6H2,1-3H3,(H,14,15,16).
What are the key properties of [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate?
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate has a molecular weight of 278.26 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate is sourced from PubChem (CID 2584366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).