methyl 3-methyl-2-oxo-1,3-benzoxazole-6-carboxylate

C10H9NO4 — CID 15122885

IUPACmethyl 3-methyl-2-oxo-1,3-benzoxazole-6-carboxylate
SMILESCOC(=O)c1ccc2c(c1)oc(=O)n2C
InChIInChI=1S/C10H9NO4/c1-11-7-4-3-6(9(12)14-2)5-8(7)15-10(11)13/h3-5H,1-2H3
InChIKeyJWOTWGRYSKOBQV-UHFFFAOYSA-N
MW207.18 g/mol
LogP0.92
Rot. Bonds1

About methyl 3-methyl-2-oxo-1,3-benzoxazole-6-carboxylate

methyl 3-methyl-2-oxo-1,3-benzoxazole-6-carboxylate (PubChem CID 15122885) has the molecular formula C10H9NO4 and a molecular weight of 207.18 g/mol. Its IUPAC name is methyl 3-methyl-2-oxo-1,3-benzoxazole-6-carboxylate.

Molecular Properties

Compound Namemethyl 3-methyl-2-oxo-1,3-benzoxazole-6-carboxylate
PubChem CID15122885
Molecular FormulaC10H9NO4
Molecular Weight207.18 g/mol
Exact Mass207.05
IUPAC Namemethyl 3-methyl-2-oxo-1,3-benzoxazole-6-carboxylate
SMILESCOC(=O)c1ccc2c(c1)oc(=O)n2C
InChIInChI=1S/C10H9NO4/c1-11-7-4-3-6(9(12)14-2)5-8(7)15-10(11)13/h3-5H,1-2H3
InChIKeyJWOTWGRYSKOBQV-UHFFFAOYSA-N
XLogP0.92
TPSA61.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.18
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-2-oxo-1,3-benzoxazole-6-carbohydrazide
CID 116843326
6-(2,2-dimethylpropanoyl)-3-methyl-1,3-benzoxazol-2-one
CID 62275157
3-methyl-6-[2-(methylamino)acetyl]-1,3-benzoxazol-2-one
CID 13038876
ethyl 2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-2-oxoacetate
CID 55054066
6-(3,4-dimethylbenzoyl)-3-methyl-1,3-benzoxazol-2-one
CID 62275171
methyl 2-oxo-3-propan-2-yl-1,3-benzoxazole-5-carboxylate
CID 167310876
6-(3,4-difluorobenzoyl)-3-methyl-1,3-benzoxazol-2-one
CID 62275173
methyl 3-[(3-methyl-2-oxo-1,3-benzoxazole-5-carbonyl)amino]benzoate
CID 110683349
N-(4-acetylphenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-carboxamide
CID 110766586
N-(2-acetamidoethyl)-3-methyl-2-oxo-1,3-benzoxazole-6-carboxamide
CID 110766529
methyl 4-[3-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]propanoylamino]benzoate
CID 20927598
N-(2,4-dimethoxyphenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-carboxamide
CID 110766578

Frequently Asked Questions

What is the IUPAC name of methyl 3-methyl-2-oxo-1,3-benzoxazole-6-carboxylate?
The IUPAC name of methyl 3-methyl-2-oxo-1,3-benzoxazole-6-carboxylate (CID 15122885) is methyl 3-methyl-2-oxo-1,3-benzoxazole-6-carboxylate.
What is the SMILES notation for methyl 3-methyl-2-oxo-1,3-benzoxazole-6-carboxylate?
The canonical SMILES for methyl 3-methyl-2-oxo-1,3-benzoxazole-6-carboxylate is COC(=O)c1ccc2c(c1)oc(=O)n2C.
What is the InChIKey of methyl 3-methyl-2-oxo-1,3-benzoxazole-6-carboxylate?
The InChIKey is JWOTWGRYSKOBQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO4/c1-11-7-4-3-6(9(12)14-2)5-8(7)15-10(11)13/h3-5H,1-2H3.
What are the key properties of methyl 3-methyl-2-oxo-1,3-benzoxazole-6-carboxylate?
methyl 3-methyl-2-oxo-1,3-benzoxazole-6-carboxylate has a molecular weight of 207.18 g/mol, XLogP of 0.92, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methyl-2-oxo-1,3-benzoxazole-6-carboxylate is sourced from PubChem (CID 15122885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).