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

C16H19N3O4 — CID 56793216

IUPACmethyl 2-[ethyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]benzoate
SMILESCCN(CC(=O)Nc1cc(C)on1)c1ccccc1C(=O)OC
InChIInChI=1S/C16H19N3O4/c1-4-19(10-15(20)17-14-9-11(2)23-18-14)13-8-6-5-7-12(13)16(21)22-3/h5-9H,4,10H2,1-3H3,(H,17,18,20)
InChIKeyWGELZKAKFKLSJV-UHFFFAOYSA-N
MW317.35 g/mol
LogP2.23
Rot. Bonds6

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

methyl 2-[ethyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]benzoate (PubChem CID 56793216) has the molecular formula C16H19N3O4 and a molecular weight of 317.35 g/mol. Its IUPAC name is methyl 2-[ethyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[ethyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]benzoate
PubChem CID56793216
Molecular FormulaC16H19N3O4
Molecular Weight317.35 g/mol
Exact Mass317.14
IUPAC Namemethyl 2-[ethyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]benzoate
SMILESCCN(CC(=O)Nc1cc(C)on1)c1ccccc1C(=O)OC
InChIInChI=1S/C16H19N3O4/c1-4-19(10-15(20)17-14-9-11(2)23-18-14)13-8-6-5-7-12(13)16(21)22-3/h5-9H,4,10H2,1-3H3,(H,17,18,20)
InChIKeyWGELZKAKFKLSJV-UHFFFAOYSA-N
XLogP2.23
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 2-[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-[ethyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]benzoate
CID 47064513
ethyl 2-[acetyl-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]amino]benzoate
CID 113134650
N-[2-(diethylamino)ethyl]-2-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide
CID 5078699
2-[N-acetyl-4-(diethylamino)-2-methylanilino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 113180495
N-(3-methoxypropyl)-2-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide
CID 3524677
2-[methyl(naphthalen-1-yl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 60570476
2-[methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]-N-phenylacetamide
CID 51282195
3-(N-ethyl-3-methylanilino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 109042852
N-ethyl-3-methoxy-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide
CID 814442
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-iodobenzoate
CID 5149355
2-methoxy-N-(3-methoxypropyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide
CID 4147660

Frequently Asked Questions

What is the IUPAC name of methyl 2-[ethyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]benzoate?
The IUPAC name of methyl 2-[ethyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]benzoate (CID 56793216) is methyl 2-[ethyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]benzoate.
What is the SMILES notation for methyl 2-[ethyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]benzoate?
The canonical SMILES for methyl 2-[ethyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]benzoate is CCN(CC(=O)Nc1cc(C)on1)c1ccccc1C(=O)OC.
What is the InChIKey of methyl 2-[ethyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]benzoate?
The InChIKey is WGELZKAKFKLSJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4/c1-4-19(10-15(20)17-14-9-11(2)23-18-14)13-8-6-5-7-12(13)16(21)22-3/h5-9H,4,10H2,1-3H3,(H,17,18,20).
What are the key properties of methyl 2-[ethyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]benzoate?
methyl 2-[ethyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]benzoate has a molecular weight of 317.35 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[ethyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]benzoate is sourced from PubChem (CID 56793216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).