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

C18H16N2O5 — CID 110774208

IUPACmethyl 4-[[2-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)acetyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)Cc2ccc3oc(=O)n(C)c3c2)cc1
InChIInChI=1S/C18H16N2O5/c1-20-14-9-11(3-8-15(14)25-18(20)23)10-16(21)19-13-6-4-12(5-7-13)17(22)24-2/h3-9H,10H2,1-2H3,(H,19,21)
InChIKeyWLGMOFSNOLKYQV-UHFFFAOYSA-N
MW340.34 g/mol
LogP2.10
Rot. Bonds4

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

methyl 4-[[2-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)acetyl]amino]benzoate (PubChem CID 110774208) has the molecular formula C18H16N2O5 and a molecular weight of 340.34 g/mol. Its IUPAC name is methyl 4-[[2-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)acetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[2-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)acetyl]amino]benzoate
PubChem CID110774208
Molecular FormulaC18H16N2O5
Molecular Weight340.34 g/mol
Exact Mass340.11
IUPAC Namemethyl 4-[[2-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)acetyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)Cc2ccc3oc(=O)n(C)c3c2)cc1
InChIInChI=1S/C18H16N2O5/c1-20-14-9-11(3-8-15(14)25-18(20)23)10-16(21)19-13-6-4-12(5-7-13)17(22)24-2/h3-9H,10H2,1-2H3,(H,19,21)
InChIKeyWLGMOFSNOLKYQV-UHFFFAOYSA-N
XLogP2.10
TPSA90.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.34
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 4-[[2-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)acetyl]amino]benzoate with MolForge

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Related Compounds

2-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-N-phenylacetamide
CID 110774161
N-(2-methoxyphenyl)-2-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)acetamide
CID 110774189
2-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-N-(2-methylpropyl)acetamide
CID 110774091
methyl 4-[3-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]propanoylamino]benzoate
CID 20927598
methyl 3-[(3-methyl-2-oxo-1,3-benzoxazole-5-carbonyl)amino]benzoate
CID 110683349
N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-2-(4-methylphenyl)acetamide
CID 110662181
methyl 4-[[2-(1,3-benzoxazol-6-yl)acetyl]amino]benzoate
CID 110771867
methyl 4-[3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)propanoylamino]benzoate
CID 9138841
methyl 4-[[2-(3-methylphenyl)acetyl]amino]benzoate
CID 6466904
3-(methylamino)-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)propanamide
CID 83547008
N-(4-chlorophenyl)-3-methyl-2-oxo-1,3-benzoxazole-5-carboxamide
CID 53067173
2-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-N-(pyridin-4-ylmethyl)acetamide
CID 110774127

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)acetyl]amino]benzoate?
The IUPAC name of methyl 4-[[2-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)acetyl]amino]benzoate (CID 110774208) is methyl 4-[[2-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)acetyl]amino]benzoate.
What is the SMILES notation for methyl 4-[[2-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)acetyl]amino]benzoate?
The canonical SMILES for methyl 4-[[2-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)acetyl]amino]benzoate is COC(=O)c1ccc(NC(=O)Cc2ccc3oc(=O)n(C)c3c2)cc1.
What is the InChIKey of methyl 4-[[2-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)acetyl]amino]benzoate?
The InChIKey is WLGMOFSNOLKYQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O5/c1-20-14-9-11(3-8-15(14)25-18(20)23)10-16(21)19-13-6-4-12(5-7-13)17(22)24-2/h3-9H,10H2,1-2H3,(H,19,21).
What are the key properties of methyl 4-[[2-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)acetyl]amino]benzoate?
methyl 4-[[2-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)acetyl]amino]benzoate has a molecular weight of 340.34 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[2-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)acetyl]amino]benzoate is sourced from PubChem (CID 110774208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).