propyl 4-[[2-(5-methyl-1,2-benzoxazol-3-yl)acetyl]amino]benzoate

C20H20N2O4 — CID 108803227

IUPACpropyl 4-[[2-(5-methyl-1,2-benzoxazol-3-yl)acetyl]amino]benzoate
SMILESCCCOC(=O)c1ccc(NC(=O)Cc2noc3ccc(C)cc23)cc1
InChIInChI=1S/C20H20N2O4/c1-3-10-25-20(24)14-5-7-15(8-6-14)21-19(23)12-17-16-11-13(2)4-9-18(16)26-22-17/h4-9,11H,3,10,12H2,1-2H3,(H,21,23)
InChIKeyFBHGFFDYTDNSGO-UHFFFAOYSA-N
MW352.39 g/mol
LogP3.88
Rot. Bonds6

About propyl 4-[[2-(5-methyl-1,2-benzoxazol-3-yl)acetyl]amino]benzoate

propyl 4-[[2-(5-methyl-1,2-benzoxazol-3-yl)acetyl]amino]benzoate (PubChem CID 108803227) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is propyl 4-[[2-(5-methyl-1,2-benzoxazol-3-yl)acetyl]amino]benzoate.

Molecular Properties

Compound Namepropyl 4-[[2-(5-methyl-1,2-benzoxazol-3-yl)acetyl]amino]benzoate
PubChem CID108803227
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC Namepropyl 4-[[2-(5-methyl-1,2-benzoxazol-3-yl)acetyl]amino]benzoate
SMILESCCCOC(=O)c1ccc(NC(=O)Cc2noc3ccc(C)cc23)cc1
InChIInChI=1S/C20H20N2O4/c1-3-10-25-20(24)14-5-7-15(8-6-14)21-19(23)12-17-16-11-13(2)4-9-18(16)26-22-17/h4-9,11H,3,10,12H2,1-2H3,(H,21,23)
InChIKeyFBHGFFDYTDNSGO-UHFFFAOYSA-N
XLogP3.88
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[[2-(5,6-dimethyl-1,2-benzoxazol-3-yl)acetyl]amino]benzoate
CID 108804334
N-(3-fluoro-4-methylphenyl)-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide
CID 22519775
ethyl 4-[[2-(4,6-dimethyl-1,2-benzoxazol-3-yl)acetyl]amino]benzoate
CID 108794230
N-ethyl-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide
CID 108790457
2-(diethylamino)ethyl 4-[[2-(4,6-dimethyl-1,2-benzoxazol-3-yl)acetyl]amino]benzoate
CID 108794344
N-(2-methoxy-5-methylphenyl)-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide
CID 22519804
2-(5-methyl-1,2-benzoxazol-3-yl)-N-(2-methylphenyl)acetamide
CID 22519860
2-(5-methyl-1,2-benzoxazol-3-yl)-N-(2,3,4-trifluorophenyl)acetamide
CID 108803187
2-(5-methyl-1,2-benzoxazol-3-yl)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide
CID 108803235
propyl 4-[[2-(methylamino)acetyl]amino]benzoate
CID 54821114
methyl-[2-(4-methylanilino)-2-oxoethyl]-[2-oxo-2-(4-propoxycarbonylanilino)ethyl]azanium
CID 8588118
2-(5,6-dimethyl-1,2-benzoxazol-3-yl)-N-(4-hexoxyphenyl)acetamide
CID 108792083

Frequently Asked Questions

What is the IUPAC name of propyl 4-[[2-(5-methyl-1,2-benzoxazol-3-yl)acetyl]amino]benzoate?
The IUPAC name of propyl 4-[[2-(5-methyl-1,2-benzoxazol-3-yl)acetyl]amino]benzoate (CID 108803227) is propyl 4-[[2-(5-methyl-1,2-benzoxazol-3-yl)acetyl]amino]benzoate.
What is the SMILES notation for propyl 4-[[2-(5-methyl-1,2-benzoxazol-3-yl)acetyl]amino]benzoate?
The canonical SMILES for propyl 4-[[2-(5-methyl-1,2-benzoxazol-3-yl)acetyl]amino]benzoate is CCCOC(=O)c1ccc(NC(=O)Cc2noc3ccc(C)cc23)cc1.
What is the InChIKey of propyl 4-[[2-(5-methyl-1,2-benzoxazol-3-yl)acetyl]amino]benzoate?
The InChIKey is FBHGFFDYTDNSGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4/c1-3-10-25-20(24)14-5-7-15(8-6-14)21-19(23)12-17-16-11-13(2)4-9-18(16)26-22-17/h4-9,11H,3,10,12H2,1-2H3,(H,21,23).
What are the key properties of propyl 4-[[2-(5-methyl-1,2-benzoxazol-3-yl)acetyl]amino]benzoate?
propyl 4-[[2-(5-methyl-1,2-benzoxazol-3-yl)acetyl]amino]benzoate has a molecular weight of 352.39 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 4-[[2-(5-methyl-1,2-benzoxazol-3-yl)acetyl]amino]benzoate is sourced from PubChem (CID 108803227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).