methyl 3-[(3-methyl-2-oxo-1,3-benzoxazole-5-carbonyl)amino]benzoate

C17H14N2O5 — CID 110683349

IUPACmethyl 3-[(3-methyl-2-oxo-1,3-benzoxazole-5-carbonyl)amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)c2ccc3oc(=O)n(C)c3c2)c1
InChIInChI=1S/C17H14N2O5/c1-19-13-9-10(6-7-14(13)24-17(19)22)15(20)18-12-5-3-4-11(8-12)16(21)23-2/h3-9H,1-2H3,(H,18,20)
InChIKeyIRCAGFDIBBFKIZ-UHFFFAOYSA-N
MW326.31 g/mol
LogP2.17
Rot. Bonds3

About methyl 3-[(3-methyl-2-oxo-1,3-benzoxazole-5-carbonyl)amino]benzoate

methyl 3-[(3-methyl-2-oxo-1,3-benzoxazole-5-carbonyl)amino]benzoate (PubChem CID 110683349) has the molecular formula C17H14N2O5 and a molecular weight of 326.31 g/mol. Its IUPAC name is methyl 3-[(3-methyl-2-oxo-1,3-benzoxazole-5-carbonyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 3-[(3-methyl-2-oxo-1,3-benzoxazole-5-carbonyl)amino]benzoate
PubChem CID110683349
Molecular FormulaC17H14N2O5
Molecular Weight326.31 g/mol
Exact Mass326.09
IUPAC Namemethyl 3-[(3-methyl-2-oxo-1,3-benzoxazole-5-carbonyl)amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)c2ccc3oc(=O)n(C)c3c2)c1
InChIInChI=1S/C17H14N2O5/c1-19-13-9-10(6-7-14(13)24-17(19)22)15(20)18-12-5-3-4-11(8-12)16(21)23-2/h3-9H,1-2H3,(H,18,20)
InChIKeyIRCAGFDIBBFKIZ-UHFFFAOYSA-N
XLogP2.17
TPSA90.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.31
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[(3-methyl-2-oxo-1,3-benzoxazole-5-carbonyl)amino]benzoate
CID 110683348
N-(4-chlorophenyl)-3-methyl-2-oxo-1,3-benzoxazole-5-carboxamide
CID 53067173
methyl 3-[(2-oxo-3H-1,3-benzoxazole-6-carbonyl)amino]benzoate
CID 110766421
methyl 3-methyl-2-oxo-1,3-benzoxazole-6-carboxylate
CID 15122885
N-(3-acetylphenyl)-3-benzyl-2-oxo-1,3-benzoxazole-5-carboxamide
CID 53067051
methyl 4-[[2-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)acetyl]amino]benzoate
CID 110774208
methyl 3-[2-(2-oxo-1,3-benzoxazol-3-yl)propanoylamino]benzoate
CID 24608479
N-tert-butyl-3-methyl-2-oxo-1,3-benzoxazole-5-carboxamide
CID 110683308
N',3-dimethyl-2-oxo-1,3-benzoxazole-5-carbohydrazide
CID 116846930
methyl 3-[(4-methyl-3-oxo-1,4-benzoxazine-6-carbonyl)amino]benzoate
CID 110763913
N-(1H-indazol-6-yl)-3-methyl-2-oxo-1,3-benzoxazole-5-carboxamide
CID 110683355
3-methyl-2-oxo-1,3-benzoxazole-5-carboxamide
CID 82491054

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(3-methyl-2-oxo-1,3-benzoxazole-5-carbonyl)amino]benzoate?
The IUPAC name of methyl 3-[(3-methyl-2-oxo-1,3-benzoxazole-5-carbonyl)amino]benzoate (CID 110683349) is methyl 3-[(3-methyl-2-oxo-1,3-benzoxazole-5-carbonyl)amino]benzoate.
What is the SMILES notation for methyl 3-[(3-methyl-2-oxo-1,3-benzoxazole-5-carbonyl)amino]benzoate?
The canonical SMILES for methyl 3-[(3-methyl-2-oxo-1,3-benzoxazole-5-carbonyl)amino]benzoate is COC(=O)c1cccc(NC(=O)c2ccc3oc(=O)n(C)c3c2)c1.
What is the InChIKey of methyl 3-[(3-methyl-2-oxo-1,3-benzoxazole-5-carbonyl)amino]benzoate?
The InChIKey is IRCAGFDIBBFKIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O5/c1-19-13-9-10(6-7-14(13)24-17(19)22)15(20)18-12-5-3-4-11(8-12)16(21)23-2/h3-9H,1-2H3,(H,18,20).
What are the key properties of methyl 3-[(3-methyl-2-oxo-1,3-benzoxazole-5-carbonyl)amino]benzoate?
methyl 3-[(3-methyl-2-oxo-1,3-benzoxazole-5-carbonyl)amino]benzoate has a molecular weight of 326.31 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(3-methyl-2-oxo-1,3-benzoxazole-5-carbonyl)amino]benzoate is sourced from PubChem (CID 110683349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).