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

C12H12N2O5 — CID 18158100

IUPAC[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 3-methylfuran-2-carboxylate
SMILESCc1cc(NC(=O)COC(=O)c2occc2C)on1
InChIInChI=1S/C12H12N2O5/c1-7-3-4-17-11(7)12(16)18-6-9(15)13-10-5-8(2)14-19-10/h3-5H,6H2,1-2H3,(H,13,15)
InChIKeyPPGINZKNAFMWHH-UHFFFAOYSA-N
MW264.24 g/mol
LogP1.68
Rot. Bonds4

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

[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 3-methylfuran-2-carboxylate (PubChem CID 18158100) has the molecular formula C12H12N2O5 and a molecular weight of 264.24 g/mol. Its IUPAC name is [2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 3-methylfuran-2-carboxylate.

Molecular Properties

Compound Name[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 3-methylfuran-2-carboxylate
PubChem CID18158100
Molecular FormulaC12H12N2O5
Molecular Weight264.24 g/mol
Exact Mass264.07
IUPAC Name[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 3-methylfuran-2-carboxylate
SMILESCc1cc(NC(=O)COC(=O)c2occc2C)on1
InChIInChI=1S/C12H12N2O5/c1-7-3-4-17-11(7)12(16)18-6-9(15)13-10-5-8(2)14-19-10/h3-5H,6H2,1-2H3,(H,13,15)
InChIKeyPPGINZKNAFMWHH-UHFFFAOYSA-N
XLogP1.68
TPSA94.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.24
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 2,6-dichlorobenzoate
CID 18128885
[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] pyridine-2-carboxylate
CID 18157596
[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 2,4,5-trimethylfuran-3-carboxylate
CID 18158113
[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] naphthalene-2-carboxylate
CID 18128877
[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 5-ethyl-4-methylthiophene-2-carboxylate
CID 18156739
[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 2,3-dichlorobenzoate
CID 18128883
[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 2,3,4-trimethoxybenzoate
CID 18157675
[2-oxo-2-(1-phenylethylamino)ethyl] 3-methylfuran-2-carboxylate
CID 18099042
[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 4-(ethylsulfamoyl)benzoate
CID 16601355
[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 4-chloro-3-sulfamoylbenzoate
CID 16598073
[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 2H-chromene-3-carboxylate
CID 18158022
[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 4-chloro-3-(methylsulfamoyl)benzoate
CID 16600981

Frequently Asked Questions

What is the IUPAC name of [2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 3-methylfuran-2-carboxylate?
The IUPAC name of [2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 3-methylfuran-2-carboxylate (CID 18158100) is [2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 3-methylfuran-2-carboxylate.
What is the SMILES notation for [2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 3-methylfuran-2-carboxylate?
The canonical SMILES for [2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 3-methylfuran-2-carboxylate is Cc1cc(NC(=O)COC(=O)c2occc2C)on1.
What is the InChIKey of [2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 3-methylfuran-2-carboxylate?
The InChIKey is PPGINZKNAFMWHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O5/c1-7-3-4-17-11(7)12(16)18-6-9(15)13-10-5-8(2)14-19-10/h3-5H,6H2,1-2H3,(H,13,15).
What are the key properties of [2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 3-methylfuran-2-carboxylate?
[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 3-methylfuran-2-carboxylate has a molecular weight of 264.24 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 3-methylfuran-2-carboxylate is sourced from PubChem (CID 18158100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).