methyl 2-[(4,5-dimethyl-1,2-oxazole-3-carbonyl)amino]benzoate

C14H14N2O4 — CID 110861575

IUPACmethyl 2-[(4,5-dimethyl-1,2-oxazole-3-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1noc(C)c1C
InChIInChI=1S/C14H14N2O4/c1-8-9(2)20-16-12(8)13(17)15-11-7-5-4-6-10(11)14(18)19-3/h4-7H,1-3H3,(H,15,17)
InChIKeyJOLQKKRBQYDTKR-UHFFFAOYSA-N
MW274.28 g/mol
LogP2.33
Rot. Bonds3

About methyl 2-[(4,5-dimethyl-1,2-oxazole-3-carbonyl)amino]benzoate

methyl 2-[(4,5-dimethyl-1,2-oxazole-3-carbonyl)amino]benzoate (PubChem CID 110861575) has the molecular formula C14H14N2O4 and a molecular weight of 274.28 g/mol. Its IUPAC name is methyl 2-[(4,5-dimethyl-1,2-oxazole-3-carbonyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[(4,5-dimethyl-1,2-oxazole-3-carbonyl)amino]benzoate
PubChem CID110861575
Molecular FormulaC14H14N2O4
Molecular Weight274.28 g/mol
Exact Mass274.10
IUPAC Namemethyl 2-[(4,5-dimethyl-1,2-oxazole-3-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1noc(C)c1C
InChIInChI=1S/C14H14N2O4/c1-8-9(2)20-16-12(8)13(17)15-11-7-5-4-6-10(11)14(18)19-3/h4-7H,1-3H3,(H,15,17)
InChIKeyJOLQKKRBQYDTKR-UHFFFAOYSA-N
XLogP2.33
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-cyanophenyl)-4,5-dimethyl-1,2-oxazole-3-carboxamide
CID 110864656
4,5-dimethyl-N-[2-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide
CID 110860744
methyl 2-[(2,5-dimethyl-1,3-thiazole-4-carbonyl)amino]benzoate
CID 110861554
methyl 2-[[6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazine-3-carbonyl]amino]benzoate
CID 109129945
methyl 2-[(4,6-dimethylpyrimidine-5-carbonyl)amino]benzoate
CID 110861617
methyl 2-(isoquinoline-1-carbonylamino)benzoate
CID 110861602
methyl 2-[[2-[(5-methyl-1,2-oxazol-3-yl)amino]pyridine-4-carbonyl]amino]benzoate
CID 109178608
methyl 2-[(5-methyl-2-phenyl-1,3-thiazole-4-carbonyl)amino]benzoate
CID 110650599
methyl 2-[(2-bromobenzoyl)amino]benzoate
CID 723592
N-(2,4-difluorophenyl)-4,5-dimethyl-1,2-oxazole-3-carboxamide
CID 17026519
methyl 2-[(3,6-dimethylpyridazine-4-carbonyl)amino]benzoate
CID 115872529
methyl 2-[[2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carbonyl]amino]benzoate
CID 109318322

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4,5-dimethyl-1,2-oxazole-3-carbonyl)amino]benzoate?
The IUPAC name of methyl 2-[(4,5-dimethyl-1,2-oxazole-3-carbonyl)amino]benzoate (CID 110861575) is methyl 2-[(4,5-dimethyl-1,2-oxazole-3-carbonyl)amino]benzoate.
What is the SMILES notation for methyl 2-[(4,5-dimethyl-1,2-oxazole-3-carbonyl)amino]benzoate?
The canonical SMILES for methyl 2-[(4,5-dimethyl-1,2-oxazole-3-carbonyl)amino]benzoate is COC(=O)c1ccccc1NC(=O)c1noc(C)c1C.
What is the InChIKey of methyl 2-[(4,5-dimethyl-1,2-oxazole-3-carbonyl)amino]benzoate?
The InChIKey is JOLQKKRBQYDTKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4/c1-8-9(2)20-16-12(8)13(17)15-11-7-5-4-6-10(11)14(18)19-3/h4-7H,1-3H3,(H,15,17).
What are the key properties of methyl 2-[(4,5-dimethyl-1,2-oxazole-3-carbonyl)amino]benzoate?
methyl 2-[(4,5-dimethyl-1,2-oxazole-3-carbonyl)amino]benzoate has a molecular weight of 274.28 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4,5-dimethyl-1,2-oxazole-3-carbonyl)amino]benzoate is sourced from PubChem (CID 110861575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).