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

C17H21N3O4 — CID 2514844

IUPAC[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 4-(diethylamino)benzoate
SMILESCCN(CC)c1ccc(C(=O)OCC(=O)Nc2cc(C)on2)cc1
InChIInChI=1S/C17H21N3O4/c1-4-20(5-2)14-8-6-13(7-9-14)17(22)23-11-16(21)18-15-10-12(3)24-19-15/h6-10H,4-5,11H2,1-3H3,(H,18,19,21)
InChIKeyOLSKPRCCUGDRAA-UHFFFAOYSA-N
MW331.37 g/mol
LogP2.62
Rot. Bonds7

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

[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 4-(diethylamino)benzoate (PubChem CID 2514844) has the molecular formula C17H21N3O4 and a molecular weight of 331.37 g/mol. Its IUPAC name is [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 4-(diethylamino)benzoate.

Molecular Properties

Compound Name[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 4-(diethylamino)benzoate
PubChem CID2514844
Molecular FormulaC17H21N3O4
Molecular Weight331.37 g/mol
Exact Mass331.15
IUPAC Name[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 4-(diethylamino)benzoate
SMILESCCN(CC)c1ccc(C(=O)OCC(=O)Nc2cc(C)on2)cc1
InChIInChI=1S/C17H21N3O4/c1-4-20(5-2)14-8-6-13(7-9-14)17(22)23-11-16(21)18-15-10-12(3)24-19-15/h6-10H,4-5,11H2,1-3H3,(H,18,19,21)
InChIKeyOLSKPRCCUGDRAA-UHFFFAOYSA-N
XLogP2.62
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 52.62
H-Bond Donors ≤ 51
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] 4-(diethylamino)benzoate?
The IUPAC name of [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 4-(diethylamino)benzoate (CID 2514844) is [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 4-(diethylamino)benzoate.
What is the SMILES notation for [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 4-(diethylamino)benzoate?
The canonical SMILES for [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 4-(diethylamino)benzoate is CCN(CC)c1ccc(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-(diethylamino)benzoate?
The InChIKey is OLSKPRCCUGDRAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4/c1-4-20(5-2)14-8-6-13(7-9-14)17(22)23-11-16(21)18-15-10-12(3)24-19-15/h6-10H,4-5,11H2,1-3H3,(H,18,19,21).
What are the key properties of [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 4-(diethylamino)benzoate?
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 4-(diethylamino)benzoate has a molecular weight of 331.37 g/mol, XLogP of 2.62, 7 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-(diethylamino)benzoate is sourced from PubChem (CID 2514844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).