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

C11H11NO3 — CID 10703416

IUPACmethyl 4-(4,5-dihydro-1,3-oxazol-2-yl)benzoate
SMILESCOC(=O)c1ccc(C2=NCCO2)cc1
InChIInChI=1S/C11H11NO3/c1-14-11(13)9-4-2-8(3-5-9)10-12-6-7-15-10/h2-5H,6-7H2,1H3
InChIKeyVHEWHAWQKJTQCA-UHFFFAOYSA-N
MW205.21 g/mol
LogP1.25
Rot. Bonds2

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

methyl 4-(4,5-dihydro-1,3-oxazol-2-yl)benzoate (PubChem CID 10703416) has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is methyl 4-(4,5-dihydro-1,3-oxazol-2-yl)benzoate.

Molecular Properties

Compound Namemethyl 4-(4,5-dihydro-1,3-oxazol-2-yl)benzoate
PubChem CID10703416
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Namemethyl 4-(4,5-dihydro-1,3-oxazol-2-yl)benzoate
SMILESCOC(=O)c1ccc(C2=NCCO2)cc1
InChIInChI=1S/C11H11NO3/c1-14-11(13)9-4-2-8(3-5-9)10-12-6-7-15-10/h2-5H,6-7H2,1H3
InChIKeyVHEWHAWQKJTQCA-UHFFFAOYSA-N
XLogP1.25
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(4,5-dihydro-1,3-oxazol-2-yl)benzoate?
The IUPAC name of methyl 4-(4,5-dihydro-1,3-oxazol-2-yl)benzoate (CID 10703416) is methyl 4-(4,5-dihydro-1,3-oxazol-2-yl)benzoate.
What is the SMILES notation for methyl 4-(4,5-dihydro-1,3-oxazol-2-yl)benzoate?
The canonical SMILES for methyl 4-(4,5-dihydro-1,3-oxazol-2-yl)benzoate is COC(=O)c1ccc(C2=NCCO2)cc1.
What is the InChIKey of methyl 4-(4,5-dihydro-1,3-oxazol-2-yl)benzoate?
The InChIKey is VHEWHAWQKJTQCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3/c1-14-11(13)9-4-2-8(3-5-9)10-12-6-7-15-10/h2-5H,6-7H2,1H3.
What are the key properties of methyl 4-(4,5-dihydro-1,3-oxazol-2-yl)benzoate?
methyl 4-(4,5-dihydro-1,3-oxazol-2-yl)benzoate has a molecular weight of 205.21 g/mol, XLogP of 1.25, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(4,5-dihydro-1,3-oxazol-2-yl)benzoate is sourced from PubChem (CID 10703416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).