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

C15H17N3O4 — CID 109041512

IUPACmethyl 4-[3-[(5-methyl-1,2-oxazol-3-yl)amino]propanoylamino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)CCNc2cc(C)on2)cc1
InChIInChI=1S/C15H17N3O4/c1-10-9-13(18-22-10)16-8-7-14(19)17-12-5-3-11(4-6-12)15(20)21-2/h3-6,9H,7-8H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyYSQYMHAZPDYLHO-UHFFFAOYSA-N
MW303.32 g/mol
LogP2.21
Rot. Bonds6

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

methyl 4-[3-[(5-methyl-1,2-oxazol-3-yl)amino]propanoylamino]benzoate (PubChem CID 109041512) has the molecular formula C15H17N3O4 and a molecular weight of 303.32 g/mol. Its IUPAC name is methyl 4-[3-[(5-methyl-1,2-oxazol-3-yl)amino]propanoylamino]benzoate.

Molecular Properties

Compound Namemethyl 4-[3-[(5-methyl-1,2-oxazol-3-yl)amino]propanoylamino]benzoate
PubChem CID109041512
Molecular FormulaC15H17N3O4
Molecular Weight303.32 g/mol
Exact Mass303.12
IUPAC Namemethyl 4-[3-[(5-methyl-1,2-oxazol-3-yl)amino]propanoylamino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)CCNc2cc(C)on2)cc1
InChIInChI=1S/C15H17N3O4/c1-10-9-13(18-22-10)16-8-7-14(19)17-12-5-3-11(4-6-12)15(20)21-2/h3-6,9H,7-8H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyYSQYMHAZPDYLHO-UHFFFAOYSA-N
XLogP2.21
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-acetylphenyl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]propanamide
CID 109041036
N-(3,4-dichlorophenyl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]propanamide
CID 109042633
3-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(4-phenylmethoxyphenyl)propanamide
CID 109042013
N-(4-bromo-3-methylphenyl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]propanamide
CID 109042249
methyl 4-[3-(2,4,6-trimethylanilino)propanoylamino]benzoate
CID 109037051
methyl 4-[[3-(3,4-dimethylanilino)-3-oxopropyl]amino]benzoate
CID 109035468
methyl 4-[[3-(4-acetylanilino)-3-oxopropyl]amino]benzoate
CID 109040990
N-(3-chloro-4-fluorophenyl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]propanamide
CID 109038794
methyl 4-[[3-(4-ethylanilino)-3-oxopropyl]amino]benzoate
CID 109036302
N-(2,6-dimethylphenyl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]propanamide
CID 109035848
methyl 3-[(5-methyl-1,2-oxazol-3-yl)amino]propanoate
CID 82316641
3-(3-methoxyanilino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 109039607

Frequently Asked Questions

What is the IUPAC name of methyl 4-[3-[(5-methyl-1,2-oxazol-3-yl)amino]propanoylamino]benzoate?
The IUPAC name of methyl 4-[3-[(5-methyl-1,2-oxazol-3-yl)amino]propanoylamino]benzoate (CID 109041512) is methyl 4-[3-[(5-methyl-1,2-oxazol-3-yl)amino]propanoylamino]benzoate.
What is the SMILES notation for methyl 4-[3-[(5-methyl-1,2-oxazol-3-yl)amino]propanoylamino]benzoate?
The canonical SMILES for methyl 4-[3-[(5-methyl-1,2-oxazol-3-yl)amino]propanoylamino]benzoate is COC(=O)c1ccc(NC(=O)CCNc2cc(C)on2)cc1.
What is the InChIKey of methyl 4-[3-[(5-methyl-1,2-oxazol-3-yl)amino]propanoylamino]benzoate?
The InChIKey is YSQYMHAZPDYLHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O4/c1-10-9-13(18-22-10)16-8-7-14(19)17-12-5-3-11(4-6-12)15(20)21-2/h3-6,9H,7-8H2,1-2H3,(H,16,18)(H,17,19).
What are the key properties of methyl 4-[3-[(5-methyl-1,2-oxazol-3-yl)amino]propanoylamino]benzoate?
methyl 4-[3-[(5-methyl-1,2-oxazol-3-yl)amino]propanoylamino]benzoate has a molecular weight of 303.32 g/mol, XLogP of 2.21, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[3-[(5-methyl-1,2-oxazol-3-yl)amino]propanoylamino]benzoate is sourced from PubChem (CID 109041512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).