methyl 2-[2-(4-fluorophenyl)-5-quinolin-6-yl-1,3-oxazol-4-yl]acetate

C21H15FN2O3 — CID 142178792

IUPACmethyl 2-[2-(4-fluorophenyl)-5-quinolin-6-yl-1,3-oxazol-4-yl]acetate
SMILESCOC(=O)Cc1nc(-c2ccc(F)cc2)oc1-c1ccc2ncccc2c1
InChIInChI=1S/C21H15FN2O3/c1-26-19(25)12-18-20(15-6-9-17-14(11-15)3-2-10-23-17)27-21(24-18)13-4-7-16(22)8-5-13/h2-11H,12H2,1H3
InChIKeyIIMKTQPJVIWMJP-UHFFFAOYSA-N
MW362.36 g/mol
LogP4.41
Rot. Bonds4

About methyl 2-[2-(4-fluorophenyl)-5-quinolin-6-yl-1,3-oxazol-4-yl]acetate

methyl 2-[2-(4-fluorophenyl)-5-quinolin-6-yl-1,3-oxazol-4-yl]acetate (PubChem CID 142178792) has the molecular formula C21H15FN2O3 and a molecular weight of 362.36 g/mol. Its IUPAC name is methyl 2-[2-(4-fluorophenyl)-5-quinolin-6-yl-1,3-oxazol-4-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-(4-fluorophenyl)-5-quinolin-6-yl-1,3-oxazol-4-yl]acetate
PubChem CID142178792
Molecular FormulaC21H15FN2O3
Molecular Weight362.36 g/mol
Exact Mass362.11
IUPAC Namemethyl 2-[2-(4-fluorophenyl)-5-quinolin-6-yl-1,3-oxazol-4-yl]acetate
SMILESCOC(=O)Cc1nc(-c2ccc(F)cc2)oc1-c1ccc2ncccc2c1
InChIInChI=1S/C21H15FN2O3/c1-26-19(25)12-18-20(15-6-9-17-14(11-15)3-2-10-23-17)27-21(24-18)13-4-7-16(22)8-5-13/h2-11H,12H2,1H3
InChIKeyIIMKTQPJVIWMJP-UHFFFAOYSA-N
XLogP4.41
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.36
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(4-fluorophenyl)-5-quinolin-6-yl-1,3-oxazol-4-yl]acetate?
The IUPAC name of methyl 2-[2-(4-fluorophenyl)-5-quinolin-6-yl-1,3-oxazol-4-yl]acetate (CID 142178792) is methyl 2-[2-(4-fluorophenyl)-5-quinolin-6-yl-1,3-oxazol-4-yl]acetate.
What is the SMILES notation for methyl 2-[2-(4-fluorophenyl)-5-quinolin-6-yl-1,3-oxazol-4-yl]acetate?
The canonical SMILES for methyl 2-[2-(4-fluorophenyl)-5-quinolin-6-yl-1,3-oxazol-4-yl]acetate is COC(=O)Cc1nc(-c2ccc(F)cc2)oc1-c1ccc2ncccc2c1.
What is the InChIKey of methyl 2-[2-(4-fluorophenyl)-5-quinolin-6-yl-1,3-oxazol-4-yl]acetate?
The InChIKey is IIMKTQPJVIWMJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15FN2O3/c1-26-19(25)12-18-20(15-6-9-17-14(11-15)3-2-10-23-17)27-21(24-18)13-4-7-16(22)8-5-13/h2-11H,12H2,1H3.
What are the key properties of methyl 2-[2-(4-fluorophenyl)-5-quinolin-6-yl-1,3-oxazol-4-yl]acetate?
methyl 2-[2-(4-fluorophenyl)-5-quinolin-6-yl-1,3-oxazol-4-yl]acetate has a molecular weight of 362.36 g/mol, XLogP of 4.41, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(4-fluorophenyl)-5-quinolin-6-yl-1,3-oxazol-4-yl]acetate is sourced from PubChem (CID 142178792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).