methyl 3-(3,5-dimethyl-1,2-oxazol-4-yl)benzoate

C13H13NO3 — CID 101483431

IUPACmethyl 3-(3,5-dimethyl-1,2-oxazol-4-yl)benzoate
SMILESCOC(=O)c1cccc(-c2c(C)noc2C)c1
InChIInChI=1S/C13H13NO3/c1-8-12(9(2)17-14-8)10-5-4-6-11(7-10)13(15)16-3/h4-7H,1-3H3
InChIKeyPVADSZLPKGGLAC-UHFFFAOYSA-N
MW231.25 g/mol
LogP2.75
Rot. Bonds2

About methyl 3-(3,5-dimethyl-1,2-oxazol-4-yl)benzoate

methyl 3-(3,5-dimethyl-1,2-oxazol-4-yl)benzoate (PubChem CID 101483431) has the molecular formula C13H13NO3 and a molecular weight of 231.25 g/mol. Its IUPAC name is methyl 3-(3,5-dimethyl-1,2-oxazol-4-yl)benzoate.

Molecular Properties

Compound Namemethyl 3-(3,5-dimethyl-1,2-oxazol-4-yl)benzoate
PubChem CID101483431
Molecular FormulaC13H13NO3
Molecular Weight231.25 g/mol
Exact Mass231.09
IUPAC Namemethyl 3-(3,5-dimethyl-1,2-oxazol-4-yl)benzoate
SMILESCOC(=O)c1cccc(-c2c(C)noc2C)c1
InChIInChI=1S/C13H13NO3/c1-8-12(9(2)17-14-8)10-5-4-6-11(7-10)13(15)16-3/h4-7H,1-3H3
InChIKeyPVADSZLPKGGLAC-UHFFFAOYSA-N
XLogP2.75
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[[2-chloro-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-pyridinyl]amino]benzoate
CID 118196395
methyl 3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylimidazo[4,5-b]pyridin-1-yl]methyl]benzoate
CID 121418858
methyl 7-(3,5-dimethyl-1,2-oxazol-4-yl)-5H-pyrido[3,2-b]indole-3-carboxylate
CID 122688323
methyl 4-[2-amino-5-(3,5-dimethyl-1,2-oxazol-4-yl)anilino]benzoate
CID 167061902
methyl 3-(2-methyl-6-sulfanylphenyl)benzoate
CID 174321079
lithium;3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylimidazo[4,5-b]pyridin-1-yl]methyl]benzoic acid;methyl 3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylimidazo[4,5-b]pyridin-1-yl]methyl]benzoate;hydroxide
CID 159553569
methyl 3-[2-(3-methoxycarbonylphenyl)-3,4-dimethylidenecyclobuten-1-yl]benzoate
CID 164887686
methyl 3-pyrimidin-2-ylbenzoate
CID 69487031
N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]formamide
CID 173261261
methyl 5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(4-methylphenyl)methyl]benzoate
CID 147155433
methyl 3-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[1,2-a]pyridine-7-carboxylate
CID 142565317
methyl 4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-oxo-3H-benzimidazol-1-yl]benzoate
CID 167061903

Frequently Asked Questions

What is the IUPAC name of methyl 3-(3,5-dimethyl-1,2-oxazol-4-yl)benzoate?
The IUPAC name of methyl 3-(3,5-dimethyl-1,2-oxazol-4-yl)benzoate (CID 101483431) is methyl 3-(3,5-dimethyl-1,2-oxazol-4-yl)benzoate.
What is the SMILES notation for methyl 3-(3,5-dimethyl-1,2-oxazol-4-yl)benzoate?
The canonical SMILES for methyl 3-(3,5-dimethyl-1,2-oxazol-4-yl)benzoate is COC(=O)c1cccc(-c2c(C)noc2C)c1.
What is the InChIKey of methyl 3-(3,5-dimethyl-1,2-oxazol-4-yl)benzoate?
The InChIKey is PVADSZLPKGGLAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3/c1-8-12(9(2)17-14-8)10-5-4-6-11(7-10)13(15)16-3/h4-7H,1-3H3.
What are the key properties of methyl 3-(3,5-dimethyl-1,2-oxazol-4-yl)benzoate?
methyl 3-(3,5-dimethyl-1,2-oxazol-4-yl)benzoate has a molecular weight of 231.25 g/mol, XLogP of 2.75, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(3,5-dimethyl-1,2-oxazol-4-yl)benzoate is sourced from PubChem (CID 101483431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).