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

C17H15N3O4 — CID 2101583

IUPAC[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-methylquinoline-4-carboxylate
SMILESCc1cc(C(=O)OCC(=O)Nc2cc(C)on2)c2ccccc2n1
InChIInChI=1S/C17H15N3O4/c1-10-7-13(12-5-3-4-6-14(12)18-10)17(22)23-9-16(21)19-15-8-11(2)24-20-15/h3-8H,9H2,1-2H3,(H,19,20,21)
InChIKeyQFKIQYDWRINADQ-UHFFFAOYSA-N
MW325.32 g/mol
LogP2.64
Rot. Bonds4

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

[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-methylquinoline-4-carboxylate (PubChem CID 2101583) has the molecular formula C17H15N3O4 and a molecular weight of 325.32 g/mol. Its IUPAC name is [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-methylquinoline-4-carboxylate.

Molecular Properties

Compound Name[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-methylquinoline-4-carboxylate
PubChem CID2101583
Molecular FormulaC17H15N3O4
Molecular Weight325.32 g/mol
Exact Mass325.11
IUPAC Name[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-methylquinoline-4-carboxylate
SMILESCc1cc(C(=O)OCC(=O)Nc2cc(C)on2)c2ccccc2n1
InChIInChI=1S/C17H15N3O4/c1-10-7-13(12-5-3-4-6-14(12)18-10)17(22)23-9-16(21)19-15-8-11(2)24-20-15/h3-8H,9H2,1-2H3,(H,19,20,21)
InChIKeyQFKIQYDWRINADQ-UHFFFAOYSA-N
XLogP2.64
TPSA94.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-methylquinoline-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(5-methyl-3-isoxazolyl)-2-(4-methylphenyl)-4-quinolinecarboxamide
CID 897342
[2-[(5-Methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-(2,4-dimethylphenyl)quinoline-4-carboxylate
CID 2092924
N-(5-methyl-3-isoxazolyl)-2-(2-methylphenyl)-4-quinolinecarboxamide
CID 3319654
[2-[(5-Methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-(4-butan-2-ylphenyl)quinoline-4-carboxylate
CID 4014148
N-(5-methyl-1,2-oxazol-3-yl)-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxamide
CID 1223907
[2-[(5-Methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-nitrobenzoate
CID 2454258
2-(3-ethoxyphenyl)-N-(1,2-oxazol-3-yl)quinoline-4-carboxamide
CID 1223866
N-(5-methyl-3-isoxazolyl)-2-(4-propan-2-yloxyphenyl)-4-quinolinecarboxamide
CID 4649795
2-[3-(2-methylpropoxy)phenyl]-N-(1,2-oxazol-3-yl)quinoline-4-carboxamide
CID 1225767
[2-[(5-Methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate
CID 2116857
N-(5-methyl-1,2-oxazol-3-yl)-2-phenylquinoline-4-carboxamide
CID 824117
[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 1H-indole-2-carboxylate
CID 16372610

Frequently Asked Questions

What is the IUPAC name of [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-methylquinoline-4-carboxylate?
The IUPAC name of [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-methylquinoline-4-carboxylate (CID 2101583) is [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-methylquinoline-4-carboxylate.
What is the SMILES notation for [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-methylquinoline-4-carboxylate?
The canonical SMILES for [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-methylquinoline-4-carboxylate is Cc1cc(C(=O)OCC(=O)Nc2cc(C)on2)c2ccccc2n1.
What is the InChIKey of [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-methylquinoline-4-carboxylate?
The InChIKey is QFKIQYDWRINADQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O4/c1-10-7-13(12-5-3-4-6-14(12)18-10)17(22)23-9-16(21)19-15-8-11(2)24-20-15/h3-8H,9H2,1-2H3,(H,19,20,21).
What are the key properties of [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-methylquinoline-4-carboxylate?
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-methylquinoline-4-carboxylate has a molecular weight of 325.32 g/mol, XLogP of 2.64, 4 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] 2-methylquinoline-4-carboxylate is sourced from PubChem (CID 2101583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).