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

C18H14FNO4S — CID 8648962

IUPAC(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 4-(4-fluorophenyl)-4-oxobutanoate
SMILESO=C(CCC(=O)c1ccc(F)cc1)OCc1cc(-c2cccs2)on1
InChIInChI=1S/C18H14FNO4S/c19-13-5-3-12(4-6-13)15(21)7-8-18(22)23-11-14-10-16(24-20-14)17-2-1-9-25-17/h1-6,9-10H,7-8,11H2
InChIKeyLIGOJVYUGQFIDW-UHFFFAOYSA-N
MW359.38 g/mol
LogP4.25
Rot. Bonds7

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

(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 4-(4-fluorophenyl)-4-oxobutanoate (PubChem CID 8648962) has the molecular formula C18H14FNO4S and a molecular weight of 359.38 g/mol. Its IUPAC name is (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 4-(4-fluorophenyl)-4-oxobutanoate.

Molecular Properties

Compound Name(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 4-(4-fluorophenyl)-4-oxobutanoate
PubChem CID8648962
Molecular FormulaC18H14FNO4S
Molecular Weight359.38 g/mol
Exact Mass359.06
IUPAC Name(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 4-(4-fluorophenyl)-4-oxobutanoate
SMILESO=C(CCC(=O)c1ccc(F)cc1)OCc1cc(-c2cccs2)on1
InChIInChI=1S/C18H14FNO4S/c19-13-5-3-12(4-6-13)15(21)7-8-18(22)23-11-14-10-16(24-20-14)17-2-1-9-25-17/h1-6,9-10H,7-8,11H2
InChIKeyLIGOJVYUGQFIDW-UHFFFAOYSA-N
XLogP4.25
TPSA69.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-(1,2-benzoxazol-3-yl)acetate
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(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 4-propan-2-yloxybenzoate
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Frequently Asked Questions

What is the IUPAC name of (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 4-(4-fluorophenyl)-4-oxobutanoate?
The IUPAC name of (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 4-(4-fluorophenyl)-4-oxobutanoate (CID 8648962) is (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 4-(4-fluorophenyl)-4-oxobutanoate.
What is the SMILES notation for (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 4-(4-fluorophenyl)-4-oxobutanoate?
The canonical SMILES for (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 4-(4-fluorophenyl)-4-oxobutanoate is O=C(CCC(=O)c1ccc(F)cc1)OCc1cc(-c2cccs2)on1.
What is the InChIKey of (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 4-(4-fluorophenyl)-4-oxobutanoate?
The InChIKey is LIGOJVYUGQFIDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FNO4S/c19-13-5-3-12(4-6-13)15(21)7-8-18(22)23-11-14-10-16(24-20-14)17-2-1-9-25-17/h1-6,9-10H,7-8,11H2.
What are the key properties of (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 4-(4-fluorophenyl)-4-oxobutanoate?
(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 4-(4-fluorophenyl)-4-oxobutanoate has a molecular weight of 359.38 g/mol, XLogP of 4.25, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 4-(4-fluorophenyl)-4-oxobutanoate is sourced from PubChem (CID 8648962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).