(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 4-fluorobenzoate

C18H14FNO3 — CID 16588676

IUPAC(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 4-fluorobenzoate
SMILESCc1oc(-c2ccccc2)nc1COC(=O)c1ccc(F)cc1
InChIInChI=1S/C18H14FNO3/c1-12-16(20-17(23-12)13-5-3-2-4-6-13)11-22-18(21)14-7-9-15(19)10-8-14/h2-10H,11H2,1H3
InChIKeyASIUCOBVIFFOTD-UHFFFAOYSA-N
MW311.31 g/mol
LogP4.15
Rot. Bonds4

About (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 4-fluorobenzoate

(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 4-fluorobenzoate (PubChem CID 16588676) has the molecular formula C18H14FNO3 and a molecular weight of 311.31 g/mol. Its IUPAC name is (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 4-fluorobenzoate.

Molecular Properties

Compound Name(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 4-fluorobenzoate
PubChem CID16588676
Molecular FormulaC18H14FNO3
Molecular Weight311.31 g/mol
Exact Mass311.10
IUPAC Name(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 4-fluorobenzoate
SMILESCc1oc(-c2ccccc2)nc1COC(=O)c1ccc(F)cc1
InChIInChI=1S/C18H14FNO3/c1-12-16(20-17(23-12)13-5-3-2-4-6-13)11-22-18(21)14-7-9-15(19)10-8-14/h2-10H,11H2,1H3
InChIKeyASIUCOBVIFFOTD-UHFFFAOYSA-N
XLogP4.15
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.31
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 4-(4-hydroxyphenyl)benzoate
CID 16588456
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 3,4-dichlorobenzoate
CID 16588714
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-(4-fluorophenyl)acetate
CID 16588798
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-fluorobenzoate
CID 16588712
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 4-(4-acetyloxyphenyl)benzoate
CID 16588848
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-methylbenzoate
CID 16588766
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 4-pyrrolidin-1-ylsulfonylbenzoate
CID 16588856
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 4-[2-(methanesulfonamido)ethyl]benzoate
CID 18275248
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-chloro-6-fluorobenzoate
CID 16588695
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 3-(methoxymethyl)benzoate
CID 18145195
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl naphthalene-1-carboxylate
CID 16588864
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 5-methylthiophene-2-carboxylate
CID 16611239

Frequently Asked Questions

What is the IUPAC name of (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 4-fluorobenzoate?
The IUPAC name of (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 4-fluorobenzoate (CID 16588676) is (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 4-fluorobenzoate.
What is the SMILES notation for (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 4-fluorobenzoate?
The canonical SMILES for (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 4-fluorobenzoate is Cc1oc(-c2ccccc2)nc1COC(=O)c1ccc(F)cc1.
What is the InChIKey of (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 4-fluorobenzoate?
The InChIKey is ASIUCOBVIFFOTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FNO3/c1-12-16(20-17(23-12)13-5-3-2-4-6-13)11-22-18(21)14-7-9-15(19)10-8-14/h2-10H,11H2,1H3.
What are the key properties of (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 4-fluorobenzoate?
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 4-fluorobenzoate has a molecular weight of 311.31 g/mol, XLogP of 4.15, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 4-fluorobenzoate is sourced from PubChem (CID 16588676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).