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

C18H22N2O5 — CID 2477266

IUPAC[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 4-pentoxybenzoate
SMILESCCCCCOc1ccc(C(=O)OCC(=O)Nc2cc(C)on2)cc1
InChIInChI=1S/C18H22N2O5/c1-3-4-5-10-23-15-8-6-14(7-9-15)18(22)24-12-17(21)19-16-11-13(2)25-20-16/h6-9,11H,3-5,10,12H2,1-2H3,(H,19,20,21)
InChIKeyPVKJLYPSUZLTBJ-UHFFFAOYSA-N
MW346.38 g/mol
LogP3.35
Rot. Bonds9

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

[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 4-pentoxybenzoate (PubChem CID 2477266) has the molecular formula C18H22N2O5 and a molecular weight of 346.38 g/mol. Its IUPAC name is [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 4-pentoxybenzoate.

Molecular Properties

Compound Name[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 4-pentoxybenzoate
PubChem CID2477266
Molecular FormulaC18H22N2O5
Molecular Weight346.38 g/mol
Exact Mass346.15
IUPAC Name[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 4-pentoxybenzoate
SMILESCCCCCOc1ccc(C(=O)OCC(=O)Nc2cc(C)on2)cc1
InChIInChI=1S/C18H22N2O5/c1-3-4-5-10-23-15-8-6-14(7-9-15)18(22)24-12-17(21)19-16-11-13(2)25-20-16/h6-9,11H,3-5,10,12H2,1-2H3,(H,19,20,21)
InChIKeyPVKJLYPSUZLTBJ-UHFFFAOYSA-N
XLogP3.35
TPSA90.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 4-pentoxybenzoate?
The IUPAC name of [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 4-pentoxybenzoate (CID 2477266) is [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 4-pentoxybenzoate.
What is the SMILES notation for [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 4-pentoxybenzoate?
The canonical SMILES for [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 4-pentoxybenzoate is CCCCCOc1ccc(C(=O)OCC(=O)Nc2cc(C)on2)cc1.
What is the InChIKey of [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 4-pentoxybenzoate?
The InChIKey is PVKJLYPSUZLTBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O5/c1-3-4-5-10-23-15-8-6-14(7-9-15)18(22)24-12-17(21)19-16-11-13(2)25-20-16/h6-9,11H,3-5,10,12H2,1-2H3,(H,19,20,21).
What are the key properties of [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 4-pentoxybenzoate?
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 4-pentoxybenzoate has a molecular weight of 346.38 g/mol, XLogP of 3.35, 9 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] 4-pentoxybenzoate is sourced from PubChem (CID 2477266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).