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

C13H12N2O5 — CID 2116298

IUPAC[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 3-hydroxybenzoate
SMILESCc1cc(NC(=O)COC(=O)c2cccc(O)c2)no1
InChIInChI=1S/C13H12N2O5/c1-8-5-11(15-20-8)14-12(17)7-19-13(18)9-3-2-4-10(16)6-9/h2-6,16H,7H2,1H3,(H,14,15,17)
InChIKeyAXLSFBQVCLREDS-UHFFFAOYSA-N
MW276.25 g/mol
LogP1.48
Rot. Bonds4

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

[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 3-hydroxybenzoate (PubChem CID 2116298) has the molecular formula C13H12N2O5 and a molecular weight of 276.25 g/mol. Its IUPAC name is [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 3-hydroxybenzoate.

Molecular Properties

Compound Name[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 3-hydroxybenzoate
PubChem CID2116298
Molecular FormulaC13H12N2O5
Molecular Weight276.25 g/mol
Exact Mass276.07
IUPAC Name[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 3-hydroxybenzoate
SMILESCc1cc(NC(=O)COC(=O)c2cccc(O)c2)no1
InChIInChI=1S/C13H12N2O5/c1-8-5-11(15-20-8)14-12(17)7-19-13(18)9-3-2-4-10(16)6-9/h2-6,16H,7H2,1H3,(H,14,15,17)
InChIKeyAXLSFBQVCLREDS-UHFFFAOYSA-N
XLogP1.48
TPSA101.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.25
LogP ≤ 51.48
H-Bond Donors ≤ 52
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] 3-hydroxybenzoate?
The IUPAC name of [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 3-hydroxybenzoate (CID 2116298) is [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 3-hydroxybenzoate.
What is the SMILES notation for [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 3-hydroxybenzoate?
The canonical SMILES for [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 3-hydroxybenzoate is Cc1cc(NC(=O)COC(=O)c2cccc(O)c2)no1.
What is the InChIKey of [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 3-hydroxybenzoate?
The InChIKey is AXLSFBQVCLREDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O5/c1-8-5-11(15-20-8)14-12(17)7-19-13(18)9-3-2-4-10(16)6-9/h2-6,16H,7H2,1H3,(H,14,15,17).
What are the key properties of [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 3-hydroxybenzoate?
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 3-hydroxybenzoate has a molecular weight of 276.25 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 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] 3-hydroxybenzoate is sourced from PubChem (CID 2116298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).