(3,5-dimethyl-1,2-oxazol-4-yl)methyl 4-(4-fluorophenyl)-4-oxobutanoate

C16H16FNO4 — CID 2433559

IUPAC(3,5-dimethyl-1,2-oxazol-4-yl)methyl 4-(4-fluorophenyl)-4-oxobutanoate
SMILESCc1noc(C)c1COC(=O)CCC(=O)c1ccc(F)cc1
InChIInChI=1S/C16H16FNO4/c1-10-14(11(2)22-18-10)9-21-16(20)8-7-15(19)12-3-5-13(17)6-4-12/h3-6H,7-9H2,1-2H3
InChIKeyTZFTZENBYKTCSC-UHFFFAOYSA-N
MW305.31 g/mol
LogP3.14
Rot. Bonds6

About (3,5-dimethyl-1,2-oxazol-4-yl)methyl 4-(4-fluorophenyl)-4-oxobutanoate

(3,5-dimethyl-1,2-oxazol-4-yl)methyl 4-(4-fluorophenyl)-4-oxobutanoate (PubChem CID 2433559) has the molecular formula C16H16FNO4 and a molecular weight of 305.31 g/mol. Its IUPAC name is (3,5-dimethyl-1,2-oxazol-4-yl)methyl 4-(4-fluorophenyl)-4-oxobutanoate.

Molecular Properties

Compound Name(3,5-dimethyl-1,2-oxazol-4-yl)methyl 4-(4-fluorophenyl)-4-oxobutanoate
PubChem CID2433559
Molecular FormulaC16H16FNO4
Molecular Weight305.31 g/mol
Exact Mass305.11
IUPAC Name(3,5-dimethyl-1,2-oxazol-4-yl)methyl 4-(4-fluorophenyl)-4-oxobutanoate
SMILESCc1noc(C)c1COC(=O)CCC(=O)c1ccc(F)cc1
InChIInChI=1S/C16H16FNO4/c1-10-14(11(2)22-18-10)9-21-16(20)8-7-15(19)12-3-5-13(17)6-4-12/h3-6H,7-9H2,1-2H3
InChIKeyTZFTZENBYKTCSC-UHFFFAOYSA-N
XLogP3.14
TPSA69.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.31
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)methyl 4-(4-fluorophenyl)-4-oxobutanoate?
The IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)methyl 4-(4-fluorophenyl)-4-oxobutanoate (CID 2433559) is (3,5-dimethyl-1,2-oxazol-4-yl)methyl 4-(4-fluorophenyl)-4-oxobutanoate.
What is the SMILES notation for (3,5-dimethyl-1,2-oxazol-4-yl)methyl 4-(4-fluorophenyl)-4-oxobutanoate?
The canonical SMILES for (3,5-dimethyl-1,2-oxazol-4-yl)methyl 4-(4-fluorophenyl)-4-oxobutanoate is Cc1noc(C)c1COC(=O)CCC(=O)c1ccc(F)cc1.
What is the InChIKey of (3,5-dimethyl-1,2-oxazol-4-yl)methyl 4-(4-fluorophenyl)-4-oxobutanoate?
The InChIKey is TZFTZENBYKTCSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO4/c1-10-14(11(2)22-18-10)9-21-16(20)8-7-15(19)12-3-5-13(17)6-4-12/h3-6H,7-9H2,1-2H3.
What are the key properties of (3,5-dimethyl-1,2-oxazol-4-yl)methyl 4-(4-fluorophenyl)-4-oxobutanoate?
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 4-(4-fluorophenyl)-4-oxobutanoate has a molecular weight of 305.31 g/mol, XLogP of 3.14, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyl-1,2-oxazol-4-yl)methyl 4-(4-fluorophenyl)-4-oxobutanoate is sourced from PubChem (CID 2433559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).