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

C18H14FNO4 — CID 8647493

IUPAC[5-(4-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methyl 2-hydroxybenzoate
SMILESCc1c(COC(=O)c2ccccc2O)noc1-c1ccc(F)cc1
InChIInChI=1S/C18H14FNO4/c1-11-15(10-23-18(22)14-4-2-3-5-16(14)21)20-24-17(11)12-6-8-13(19)9-7-12/h2-9,21H,10H2,1H3
InChIKeyBSUKTTLBGXQPJG-UHFFFAOYSA-N
MW327.31 g/mol
LogP3.85
Rot. Bonds4

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

[5-(4-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methyl 2-hydroxybenzoate (PubChem CID 8647493) has the molecular formula C18H14FNO4 and a molecular weight of 327.31 g/mol. Its IUPAC name is [5-(4-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methyl 2-hydroxybenzoate.

Molecular Properties

Compound Name[5-(4-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methyl 2-hydroxybenzoate
PubChem CID8647493
Molecular FormulaC18H14FNO4
Molecular Weight327.31 g/mol
Exact Mass327.09
IUPAC Name[5-(4-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methyl 2-hydroxybenzoate
SMILESCc1c(COC(=O)c2ccccc2O)noc1-c1ccc(F)cc1
InChIInChI=1S/C18H14FNO4/c1-11-15(10-23-18(22)14-4-2-3-5-16(14)21)20-24-17(11)12-6-8-13(19)9-7-12/h2-9,21H,10H2,1H3
InChIKeyBSUKTTLBGXQPJG-UHFFFAOYSA-N
XLogP3.85
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.31
LogP ≤ 53.85
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-hydroxybenzoate?
The IUPAC name of [5-(4-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methyl 2-hydroxybenzoate (CID 8647493) is [5-(4-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methyl 2-hydroxybenzoate.
What is the SMILES notation for [5-(4-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methyl 2-hydroxybenzoate?
The canonical SMILES for [5-(4-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methyl 2-hydroxybenzoate is Cc1c(COC(=O)c2ccccc2O)noc1-c1ccc(F)cc1.
What is the InChIKey of [5-(4-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methyl 2-hydroxybenzoate?
The InChIKey is BSUKTTLBGXQPJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FNO4/c1-11-15(10-23-18(22)14-4-2-3-5-16(14)21)20-24-17(11)12-6-8-13(19)9-7-12/h2-9,21H,10H2,1H3.
What are the key properties of [5-(4-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methyl 2-hydroxybenzoate?
[5-(4-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methyl 2-hydroxybenzoate has a molecular weight of 327.31 g/mol, XLogP of 3.85, 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-hydroxybenzoate is sourced from PubChem (CID 8647493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).