methyl 2-[[3-[[3-(4-methylphenyl)-1,2-oxazole-5-carbonyl]amino]benzoyl]amino]acetate

C21H19N3O5 — CID 55848995

IUPACmethyl 2-[[3-[[3-(4-methylphenyl)-1,2-oxazole-5-carbonyl]amino]benzoyl]amino]acetate
SMILESCOC(=O)CNC(=O)c1cccc(NC(=O)c2cc(-c3ccc(C)cc3)no2)c1
InChIInChI=1S/C21H19N3O5/c1-13-6-8-14(9-7-13)17-11-18(29-24-17)21(27)23-16-5-3-4-15(10-16)20(26)22-12-19(25)28-2/h3-11H,12H2,1-2H3,(H,22,26)(H,23,27)
InChIKeyGMSSAHWERRGOLM-UHFFFAOYSA-N
MW393.40 g/mol
LogP2.81
Rot. Bonds6

About methyl 2-[[3-[[3-(4-methylphenyl)-1,2-oxazole-5-carbonyl]amino]benzoyl]amino]acetate

methyl 2-[[3-[[3-(4-methylphenyl)-1,2-oxazole-5-carbonyl]amino]benzoyl]amino]acetate (PubChem CID 55848995) has the molecular formula C21H19N3O5 and a molecular weight of 393.40 g/mol. Its IUPAC name is methyl 2-[[3-[[3-(4-methylphenyl)-1,2-oxazole-5-carbonyl]amino]benzoyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[3-[[3-(4-methylphenyl)-1,2-oxazole-5-carbonyl]amino]benzoyl]amino]acetate
PubChem CID55848995
Molecular FormulaC21H19N3O5
Molecular Weight393.40 g/mol
Exact Mass393.13
IUPAC Namemethyl 2-[[3-[[3-(4-methylphenyl)-1,2-oxazole-5-carbonyl]amino]benzoyl]amino]acetate
SMILESCOC(=O)CNC(=O)c1cccc(NC(=O)c2cc(-c3ccc(C)cc3)no2)c1
InChIInChI=1S/C21H19N3O5/c1-13-6-8-14(9-7-13)17-11-18(29-24-17)21(27)23-16-5-3-4-15(10-16)20(26)22-12-19(25)28-2/h3-11H,12H2,1-2H3,(H,22,26)(H,23,27)
InChIKeyGMSSAHWERRGOLM-UHFFFAOYSA-N
XLogP2.81
TPSA110.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.40
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 2-[[3-[[3-(4-methylphenyl)-1,2-oxazole-5-carbonyl]amino]benzoyl]amino]acetate with MolForge

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Related Compounds

N-(3-fluorophenyl)-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide
CID 46427554
methyl 2-[[3-[[3-(4-bromophenyl)-1H-pyrazole-5-carbonyl]amino]benzoyl]amino]acetate
CID 55848355
N-[3-(tert-butylsulfamoyl)phenyl]-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide
CID 55668639
methyl 2-[[3-[[1-(4-methylphenyl)-3-phenylpyrazole-4-carbonyl]amino]benzoyl]amino]acetate
CID 55962642
2-[[3-[(4-methylbenzoyl)amino]benzoyl]amino]acetic acid
CID 90870302
methyl 2-[[3-[[2-[(2-iodobenzoyl)amino]acetyl]amino]benzoyl]amino]acetate
CID 55848356
N-(2,2-dimethylpropyl)-3-[5-[[3-(2-methoxypropan-2-yl)benzoyl]amino]-2-methylphenyl]-1,2-oxazole-5-carboxamide
CID 69033528
methyl 2-[[3-[[5-(4-chlorophenyl)-1H-pyrazole-4-carbonyl]amino]benzoyl]amino]acetate
CID 56548711
N-(3-aminophenyl)-3-phenyl-1,2-oxazole-5-carboxamide
CID 89210653
3-(4-methoxyphenyl)-N-[3-[(2-methylimidazol-1-yl)methyl]phenyl]-1,2-oxazole-5-carboxamide
CID 46974809
N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]-3-phenyl-1,2-oxazole-5-carboxamide
CID 46473887
N-(1-amino-2-methylpropan-2-yl)-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide;hydrochloride
CID 119522065

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[3-[[3-(4-methylphenyl)-1,2-oxazole-5-carbonyl]amino]benzoyl]amino]acetate?
The IUPAC name of methyl 2-[[3-[[3-(4-methylphenyl)-1,2-oxazole-5-carbonyl]amino]benzoyl]amino]acetate (CID 55848995) is methyl 2-[[3-[[3-(4-methylphenyl)-1,2-oxazole-5-carbonyl]amino]benzoyl]amino]acetate.
What is the SMILES notation for methyl 2-[[3-[[3-(4-methylphenyl)-1,2-oxazole-5-carbonyl]amino]benzoyl]amino]acetate?
The canonical SMILES for methyl 2-[[3-[[3-(4-methylphenyl)-1,2-oxazole-5-carbonyl]amino]benzoyl]amino]acetate is COC(=O)CNC(=O)c1cccc(NC(=O)c2cc(-c3ccc(C)cc3)no2)c1.
What is the InChIKey of methyl 2-[[3-[[3-(4-methylphenyl)-1,2-oxazole-5-carbonyl]amino]benzoyl]amino]acetate?
The InChIKey is GMSSAHWERRGOLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O5/c1-13-6-8-14(9-7-13)17-11-18(29-24-17)21(27)23-16-5-3-4-15(10-16)20(26)22-12-19(25)28-2/h3-11H,12H2,1-2H3,(H,22,26)(H,23,27).
What are the key properties of methyl 2-[[3-[[3-(4-methylphenyl)-1,2-oxazole-5-carbonyl]amino]benzoyl]amino]acetate?
methyl 2-[[3-[[3-(4-methylphenyl)-1,2-oxazole-5-carbonyl]amino]benzoyl]amino]acetate has a molecular weight of 393.40 g/mol, XLogP of 2.81, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[3-[[3-(4-methylphenyl)-1,2-oxazole-5-carbonyl]amino]benzoyl]amino]acetate is sourced from PubChem (CID 55848995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).