methyl 2-[[2-(2-methyl-1,3-benzoxazol-6-yl)acetyl]amino]benzoate

C18H16N2O4 — CID 110772027

IUPACmethyl 2-[[2-(2-methyl-1,3-benzoxazol-6-yl)acetyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)Cc1ccc2nc(C)oc2c1
InChIInChI=1S/C18H16N2O4/c1-11-19-15-8-7-12(9-16(15)24-11)10-17(21)20-14-6-4-3-5-13(14)18(22)23-2/h3-9H,10H2,1-2H3,(H,20,21)
InChIKeyLXYLUCLPIVAICN-UHFFFAOYSA-N
MW324.34 g/mol
LogP3.10
Rot. Bonds4

About methyl 2-[[2-(2-methyl-1,3-benzoxazol-6-yl)acetyl]amino]benzoate

methyl 2-[[2-(2-methyl-1,3-benzoxazol-6-yl)acetyl]amino]benzoate (PubChem CID 110772027) has the molecular formula C18H16N2O4 and a molecular weight of 324.34 g/mol. Its IUPAC name is methyl 2-[[2-(2-methyl-1,3-benzoxazol-6-yl)acetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[2-(2-methyl-1,3-benzoxazol-6-yl)acetyl]amino]benzoate
PubChem CID110772027
Molecular FormulaC18H16N2O4
Molecular Weight324.34 g/mol
Exact Mass324.11
IUPAC Namemethyl 2-[[2-(2-methyl-1,3-benzoxazol-6-yl)acetyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)Cc1ccc2nc(C)oc2c1
InChIInChI=1S/C18H16N2O4/c1-11-19-15-8-7-12(9-16(15)24-11)10-17(21)20-14-6-4-3-5-13(14)18(22)23-2/h3-9H,10H2,1-2H3,(H,20,21)
InChIKeyLXYLUCLPIVAICN-UHFFFAOYSA-N
XLogP3.10
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-[[2-(2-methyl-1,3-benzoxazol-6-yl)acetyl]amino]benzoate with MolForge

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Related Compounds

methyl 2-[[2-(3,4-dichlorophenyl)acetyl]amino]benzoate
CID 35727693
N-(2,4-difluorophenyl)-2-(2-methyl-1,3-benzoxazol-6-yl)acetamide
CID 110772044
2-(2-methyl-1,3-benzoxazol-6-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 110772058
methyl 2-[[2-(4-fluorophenyl)acetyl]amino]benzoate
CID 798726
2-(2-methyl-1,3-benzoxazol-5-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 110773886
2-methyl-N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]benzamide
CID 110785096
dimethyl 2-[[2-(2,4-dimethyl-1,3-oxazol-5-yl)acetyl]amino]benzene-1,4-dicarboxylate
CID 110680206
methyl 2-[[2-(2,4-dimethylphenyl)acetyl]amino]benzoate
CID 100583620
2-(2-methyl-1,3-benzoxazol-5-yl)-N-(2,3,4-trifluorophenyl)acetamide
CID 110773923
1,1,1-trifluoro-3-(2-methyl-1,3-benzoxazol-6-yl)propan-2-one
CID 167601007
N-(5-chloro-2-methoxyphenyl)-2-(2-methyl-1,3-benzoxazol-5-yl)acetamide
CID 110773873
N-(3-amino-2-methylpropyl)-2-(2-methyl-1,3-benzoxazol-6-yl)acetamide
CID 115271704

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(2-methyl-1,3-benzoxazol-6-yl)acetyl]amino]benzoate?
The IUPAC name of methyl 2-[[2-(2-methyl-1,3-benzoxazol-6-yl)acetyl]amino]benzoate (CID 110772027) is methyl 2-[[2-(2-methyl-1,3-benzoxazol-6-yl)acetyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[2-(2-methyl-1,3-benzoxazol-6-yl)acetyl]amino]benzoate?
The canonical SMILES for methyl 2-[[2-(2-methyl-1,3-benzoxazol-6-yl)acetyl]amino]benzoate is COC(=O)c1ccccc1NC(=O)Cc1ccc2nc(C)oc2c1.
What is the InChIKey of methyl 2-[[2-(2-methyl-1,3-benzoxazol-6-yl)acetyl]amino]benzoate?
The InChIKey is LXYLUCLPIVAICN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O4/c1-11-19-15-8-7-12(9-16(15)24-11)10-17(21)20-14-6-4-3-5-13(14)18(22)23-2/h3-9H,10H2,1-2H3,(H,20,21).
What are the key properties of methyl 2-[[2-(2-methyl-1,3-benzoxazol-6-yl)acetyl]amino]benzoate?
methyl 2-[[2-(2-methyl-1,3-benzoxazol-6-yl)acetyl]amino]benzoate has a molecular weight of 324.34 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(2-methyl-1,3-benzoxazol-6-yl)acetyl]amino]benzoate is sourced from PubChem (CID 110772027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).