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

C11H10N2O5 — CID 2129010

IUPAC[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] furan-2-carboxylate
SMILESCc1cc(NC(=O)COC(=O)c2ccco2)no1
InChIInChI=1S/C11H10N2O5/c1-7-5-9(13-18-7)12-10(14)6-17-11(15)8-3-2-4-16-8/h2-5H,6H2,1H3,(H,12,13,14)
InChIKeyVZYHOPOLALXRHS-UHFFFAOYSA-N
MW250.21 g/mol
LogP1.37
Rot. Bonds4

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

[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] furan-2-carboxylate (PubChem CID 2129010) has the molecular formula C11H10N2O5 and a molecular weight of 250.21 g/mol. Its IUPAC name is [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] furan-2-carboxylate.

Molecular Properties

Compound Name[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] furan-2-carboxylate
PubChem CID2129010
Molecular FormulaC11H10N2O5
Molecular Weight250.21 g/mol
Exact Mass250.06
IUPAC Name[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] furan-2-carboxylate
SMILESCc1cc(NC(=O)COC(=O)c2ccco2)no1
InChIInChI=1S/C11H10N2O5/c1-7-5-9(13-18-7)12-10(14)6-17-11(15)8-3-2-4-16-8/h2-5H,6H2,1H3,(H,12,13,14)
InChIKeyVZYHOPOLALXRHS-UHFFFAOYSA-N
XLogP1.37
TPSA94.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.21
LogP ≤ 51.37
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] furan-2-carboxylate?
The IUPAC name of [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] furan-2-carboxylate (CID 2129010) is [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] furan-2-carboxylate.
What is the SMILES notation for [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] furan-2-carboxylate?
The canonical SMILES for [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] furan-2-carboxylate is Cc1cc(NC(=O)COC(=O)c2ccco2)no1.
What is the InChIKey of [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] furan-2-carboxylate?
The InChIKey is VZYHOPOLALXRHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O5/c1-7-5-9(13-18-7)12-10(14)6-17-11(15)8-3-2-4-16-8/h2-5H,6H2,1H3,(H,12,13,14).
What are the key properties of [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] furan-2-carboxylate?
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] furan-2-carboxylate has a molecular weight of 250.21 g/mol, XLogP of 1.37, 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] furan-2-carboxylate is sourced from PubChem (CID 2129010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).