[5-(4-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methyl 2-hydroxy-3-methylbenzoate

C19H16FNO4 — CID 8653094

IUPAC[5-(4-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methyl 2-hydroxy-3-methylbenzoate
SMILESCc1cccc(C(=O)OCc2noc(-c3ccc(F)cc3)c2C)c1O
InChIInChI=1S/C19H16FNO4/c1-11-4-3-5-15(17(11)22)19(23)24-10-16-12(2)18(25-21-16)13-6-8-14(20)9-7-13/h3-9,22H,10H2,1-2H3
InChIKeyOBJIIDQZVWEVAJ-UHFFFAOYSA-N
MW341.34 g/mol
LogP4.16
Rot. Bonds4

About [5-(4-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methyl 2-hydroxy-3-methylbenzoate

[5-(4-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methyl 2-hydroxy-3-methylbenzoate (PubChem CID 8653094) has the molecular formula C19H16FNO4 and a molecular weight of 341.34 g/mol. Its IUPAC name is [5-(4-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methyl 2-hydroxy-3-methylbenzoate.

Molecular Properties

Compound Name[5-(4-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methyl 2-hydroxy-3-methylbenzoate
PubChem CID8653094
Molecular FormulaC19H16FNO4
Molecular Weight341.34 g/mol
Exact Mass341.11
IUPAC Name[5-(4-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methyl 2-hydroxy-3-methylbenzoate
SMILESCc1cccc(C(=O)OCc2noc(-c3ccc(F)cc3)c2C)c1O
InChIInChI=1S/C19H16FNO4/c1-11-4-3-5-15(17(11)22)19(23)24-10-16-12(2)18(25-21-16)13-6-8-14(20)9-7-13/h3-9,22H,10H2,1-2H3
InChIKeyOBJIIDQZVWEVAJ-UHFFFAOYSA-N
XLogP4.16
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.34
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-(4-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methyl 2-hydroxy-3-methylbenzoate?
The IUPAC name of [5-(4-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methyl 2-hydroxy-3-methylbenzoate (CID 8653094) is [5-(4-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methyl 2-hydroxy-3-methylbenzoate.
What is the SMILES notation for [5-(4-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methyl 2-hydroxy-3-methylbenzoate?
The canonical SMILES for [5-(4-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methyl 2-hydroxy-3-methylbenzoate is Cc1cccc(C(=O)OCc2noc(-c3ccc(F)cc3)c2C)c1O.
What is the InChIKey of [5-(4-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methyl 2-hydroxy-3-methylbenzoate?
The InChIKey is OBJIIDQZVWEVAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FNO4/c1-11-4-3-5-15(17(11)22)19(23)24-10-16-12(2)18(25-21-16)13-6-8-14(20)9-7-13/h3-9,22H,10H2,1-2H3.
What are the key properties of [5-(4-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methyl 2-hydroxy-3-methylbenzoate?
[5-(4-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methyl 2-hydroxy-3-methylbenzoate has a molecular weight of 341.34 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methyl 2-hydroxy-3-methylbenzoate is sourced from PubChem (CID 8653094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).