[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2,3,4,5,6-pentamethylbenzoate

C18H22N2O4 — CID 2100421

IUPAC[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2,3,4,5,6-pentamethylbenzoate
SMILESCc1cc(NC(=O)COC(=O)c2c(C)c(C)c(C)c(C)c2C)no1
InChIInChI=1S/C18H22N2O4/c1-9-7-15(20-24-9)19-16(21)8-23-18(22)17-13(5)11(3)10(2)12(4)14(17)6/h7H,8H2,1-6H3,(H,19,20,21)
InChIKeyWOLVSHLJSPRGMZ-UHFFFAOYSA-N
MW330.38 g/mol
LogP3.32
Rot. Bonds4

About [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2,3,4,5,6-pentamethylbenzoate

[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2,3,4,5,6-pentamethylbenzoate (PubChem CID 2100421) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2,3,4,5,6-pentamethylbenzoate.

Molecular Properties

Compound Name[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2,3,4,5,6-pentamethylbenzoate
PubChem CID2100421
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC Name[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2,3,4,5,6-pentamethylbenzoate
SMILESCc1cc(NC(=O)COC(=O)c2c(C)c(C)c(C)c(C)c2C)no1
InChIInChI=1S/C18H22N2O4/c1-9-7-15(20-24-9)19-16(21)8-23-18(22)17-13(5)11(3)10(2)12(4)14(17)6/h7H,8H2,1-6H3,(H,19,20,21)
InChIKeyWOLVSHLJSPRGMZ-UHFFFAOYSA-N
XLogP3.32
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 53.32
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] 2,3,4,5,6-pentamethylbenzoate?
The IUPAC name of [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2,3,4,5,6-pentamethylbenzoate (CID 2100421) is [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2,3,4,5,6-pentamethylbenzoate.
What is the SMILES notation for [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2,3,4,5,6-pentamethylbenzoate?
The canonical SMILES for [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2,3,4,5,6-pentamethylbenzoate is Cc1cc(NC(=O)COC(=O)c2c(C)c(C)c(C)c(C)c2C)no1.
What is the InChIKey of [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2,3,4,5,6-pentamethylbenzoate?
The InChIKey is WOLVSHLJSPRGMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4/c1-9-7-15(20-24-9)19-16(21)8-23-18(22)17-13(5)11(3)10(2)12(4)14(17)6/h7H,8H2,1-6H3,(H,19,20,21).
What are the key properties of [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2,3,4,5,6-pentamethylbenzoate?
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2,3,4,5,6-pentamethylbenzoate has a molecular weight of 330.38 g/mol, XLogP of 3.32, 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] 2,3,4,5,6-pentamethylbenzoate is sourced from PubChem (CID 2100421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).