ethyl 4-[4-(4-fluorophenyl)-2-oxo-3H-1,3-oxazol-5-yl]butanoate

C15H16FNO4 — CID 18174763

IUPACethyl 4-[4-(4-fluorophenyl)-2-oxo-3H-1,3-oxazol-5-yl]butanoate
SMILESCCOC(=O)CCCc1oc(=O)[nH]c1-c1ccc(F)cc1
InChIInChI=1S/C15H16FNO4/c1-2-20-13(18)5-3-4-12-14(17-15(19)21-12)10-6-8-11(16)9-7-10/h6-9H,2-5H2,1H3,(H,17,19)
InChIKeyBESMMFZLXNJWRY-UHFFFAOYSA-N
MW293.29 g/mol
LogP2.66
Rot. Bonds6

About ethyl 4-[4-(4-fluorophenyl)-2-oxo-3H-1,3-oxazol-5-yl]butanoate

ethyl 4-[4-(4-fluorophenyl)-2-oxo-3H-1,3-oxazol-5-yl]butanoate (PubChem CID 18174763) has the molecular formula C15H16FNO4 and a molecular weight of 293.29 g/mol. Its IUPAC name is ethyl 4-[4-(4-fluorophenyl)-2-oxo-3H-1,3-oxazol-5-yl]butanoate.

Molecular Properties

Compound Nameethyl 4-[4-(4-fluorophenyl)-2-oxo-3H-1,3-oxazol-5-yl]butanoate
PubChem CID18174763
Molecular FormulaC15H16FNO4
Molecular Weight293.29 g/mol
Exact Mass293.11
IUPAC Nameethyl 4-[4-(4-fluorophenyl)-2-oxo-3H-1,3-oxazol-5-yl]butanoate
SMILESCCOC(=O)CCCc1oc(=O)[nH]c1-c1ccc(F)cc1
InChIInChI=1S/C15H16FNO4/c1-2-20-13(18)5-3-4-12-14(17-15(19)21-12)10-6-8-11(16)9-7-10/h6-9H,2-5H2,1H3,(H,17,19)
InChIKeyBESMMFZLXNJWRY-UHFFFAOYSA-N
XLogP2.66
TPSA72.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.29
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[4-(4-fluorophenyl)-2-oxo-3H-1,3-oxazol-5-yl]butanoate?
The IUPAC name of ethyl 4-[4-(4-fluorophenyl)-2-oxo-3H-1,3-oxazol-5-yl]butanoate (CID 18174763) is ethyl 4-[4-(4-fluorophenyl)-2-oxo-3H-1,3-oxazol-5-yl]butanoate.
What is the SMILES notation for ethyl 4-[4-(4-fluorophenyl)-2-oxo-3H-1,3-oxazol-5-yl]butanoate?
The canonical SMILES for ethyl 4-[4-(4-fluorophenyl)-2-oxo-3H-1,3-oxazol-5-yl]butanoate is CCOC(=O)CCCc1oc(=O)[nH]c1-c1ccc(F)cc1.
What is the InChIKey of ethyl 4-[4-(4-fluorophenyl)-2-oxo-3H-1,3-oxazol-5-yl]butanoate?
The InChIKey is BESMMFZLXNJWRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO4/c1-2-20-13(18)5-3-4-12-14(17-15(19)21-12)10-6-8-11(16)9-7-10/h6-9H,2-5H2,1H3,(H,17,19).
What are the key properties of ethyl 4-[4-(4-fluorophenyl)-2-oxo-3H-1,3-oxazol-5-yl]butanoate?
ethyl 4-[4-(4-fluorophenyl)-2-oxo-3H-1,3-oxazol-5-yl]butanoate has a molecular weight of 293.29 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[4-(4-fluorophenyl)-2-oxo-3H-1,3-oxazol-5-yl]butanoate is sourced from PubChem (CID 18174763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).