[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 3,4-dimethylbenzoate

C15H16N2O4 — CID 2116546

IUPAC[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 3,4-dimethylbenzoate
SMILESCc1cc(NC(=O)COC(=O)c2ccc(C)c(C)c2)no1
InChIInChI=1S/C15H16N2O4/c1-9-4-5-12(6-10(9)2)15(19)20-8-14(18)16-13-7-11(3)21-17-13/h4-7H,8H2,1-3H3,(H,16,17,18)
InChIKeySGLMWUMOFPVDRP-UHFFFAOYSA-N
MW288.30 g/mol
LogP2.40
Rot. Bonds4

About [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 3,4-dimethylbenzoate

[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 3,4-dimethylbenzoate (PubChem CID 2116546) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 3,4-dimethylbenzoate.

Molecular Properties

Compound Name[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 3,4-dimethylbenzoate
PubChem CID2116546
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 3,4-dimethylbenzoate
SMILESCc1cc(NC(=O)COC(=O)c2ccc(C)c(C)c2)no1
InChIInChI=1S/C15H16N2O4/c1-9-4-5-12(6-10(9)2)15(19)20-8-14(18)16-13-7-11(3)21-17-13/h4-7H,8H2,1-3H3,(H,16,17,18)
InChIKeySGLMWUMOFPVDRP-UHFFFAOYSA-N
XLogP2.40
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 3,4-dimethylbenzoate?
The IUPAC name of [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 3,4-dimethylbenzoate (CID 2116546) is [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 3,4-dimethylbenzoate.
What is the SMILES notation for [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 3,4-dimethylbenzoate?
The canonical SMILES for [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 3,4-dimethylbenzoate is Cc1cc(NC(=O)COC(=O)c2ccc(C)c(C)c2)no1.
What is the InChIKey of [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 3,4-dimethylbenzoate?
The InChIKey is SGLMWUMOFPVDRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c1-9-4-5-12(6-10(9)2)15(19)20-8-14(18)16-13-7-11(3)21-17-13/h4-7H,8H2,1-3H3,(H,16,17,18).
What are the key properties of [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 3,4-dimethylbenzoate?
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 3,4-dimethylbenzoate has a molecular weight of 288.30 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 3,4-dimethylbenzoate is sourced from PubChem (CID 2116546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).