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

C17H21N3O4 — CID 47064513

IUPACethyl 3-[ethyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]benzoate
SMILESCCOC(=O)c1cccc(N(CC)CC(=O)Nc2cc(C)on2)c1
InChIInChI=1S/C17H21N3O4/c1-4-20(11-16(21)18-15-9-12(3)24-19-15)14-8-6-7-13(10-14)17(22)23-5-2/h6-10H,4-5,11H2,1-3H3,(H,18,19,21)
InChIKeyAYROSHZTXPMPAU-UHFFFAOYSA-N
MW331.37 g/mol
LogP2.62
Rot. Bonds7

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

ethyl 3-[ethyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]benzoate (PubChem CID 47064513) has the molecular formula C17H21N3O4 and a molecular weight of 331.37 g/mol. Its IUPAC name is ethyl 3-[ethyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 3-[ethyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]benzoate
PubChem CID47064513
Molecular FormulaC17H21N3O4
Molecular Weight331.37 g/mol
Exact Mass331.15
IUPAC Nameethyl 3-[ethyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]benzoate
SMILESCCOC(=O)c1cccc(N(CC)CC(=O)Nc2cc(C)on2)c1
InChIInChI=1S/C17H21N3O4/c1-4-20(11-16(21)18-15-9-12(3)24-19-15)14-8-6-7-13(10-14)17(22)23-5-2/h6-10H,4-5,11H2,1-3H3,(H,18,19,21)
InChIKeyAYROSHZTXPMPAU-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

Analyze ethyl 3-[ethyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]benzoate with MolForge

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Related Compounds

2-(N-ethylanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 47121660
ethyl 3-[[2-(2-bromoanilino)-2-oxoethyl]-ethylamino]benzoate
CID 55916659
methyl 3-[[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-methylsulfonylamino]benzoate
CID 113156002
methyl 2-[ethyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]benzoate
CID 56793216
3-(N-ethyl-3-methylanilino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 109042852
ethyl 3-[[2-[[4-(difluoromethoxy)phenyl]methylamino]-2-oxoethyl]-ethylamino]benzoate
CID 55916657
ethyl 3-[[2-(2-chloro-4-nitroanilino)-2-oxoethyl]-ethylamino]benzoate
CID 55917043
N-ethyl-3-methoxy-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide
CID 814442
ethyl 3-[[2-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)anilino]-2-oxoethyl]-ethylamino]benzoate
CID 55916148
ethyl 4-[acetyl-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]amino]benzoate
CID 113133389
2-[N-acetyl-4-(diethylamino)-2-methylanilino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 113180495
3-amino-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide
CID 60947012

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[ethyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]benzoate?
The IUPAC name of ethyl 3-[ethyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]benzoate (CID 47064513) is ethyl 3-[ethyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]benzoate.
What is the SMILES notation for ethyl 3-[ethyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]benzoate?
The canonical SMILES for ethyl 3-[ethyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]benzoate is CCOC(=O)c1cccc(N(CC)CC(=O)Nc2cc(C)on2)c1.
What is the InChIKey of ethyl 3-[ethyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]benzoate?
The InChIKey is AYROSHZTXPMPAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4/c1-4-20(11-16(21)18-15-9-12(3)24-19-15)14-8-6-7-13(10-14)17(22)23-5-2/h6-10H,4-5,11H2,1-3H3,(H,18,19,21).
What are the key properties of ethyl 3-[ethyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]benzoate?
ethyl 3-[ethyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]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 ethyl 3-[ethyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]benzoate is sourced from PubChem (CID 47064513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).