[2-(4-fluorophenyl)-5-thiophen-3-yl-1,3-oxazol-4-yl] butanoate

C17H14FNO3S — CID 67549415

IUPAC[2-(4-fluorophenyl)-5-thiophen-3-yl-1,3-oxazol-4-yl] butanoate
SMILESCCCC(=O)Oc1nc(-c2ccc(F)cc2)oc1-c1ccsc1
InChIInChI=1S/C17H14FNO3S/c1-2-3-14(20)21-17-15(12-8-9-23-10-12)22-16(19-17)11-4-6-13(18)7-5-11/h4-10H,2-3H2,1H3
InChIKeyIZOCQOBMGHBOAS-UHFFFAOYSA-N
MW331.37 g/mol
LogP4.91
Rot. Bonds5

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

[2-(4-fluorophenyl)-5-thiophen-3-yl-1,3-oxazol-4-yl] butanoate (PubChem CID 67549415) has the molecular formula C17H14FNO3S and a molecular weight of 331.37 g/mol. Its IUPAC name is [2-(4-fluorophenyl)-5-thiophen-3-yl-1,3-oxazol-4-yl] butanoate.

Molecular Properties

Compound Name[2-(4-fluorophenyl)-5-thiophen-3-yl-1,3-oxazol-4-yl] butanoate
PubChem CID67549415
Molecular FormulaC17H14FNO3S
Molecular Weight331.37 g/mol
Exact Mass331.07
IUPAC Name[2-(4-fluorophenyl)-5-thiophen-3-yl-1,3-oxazol-4-yl] butanoate
SMILESCCCC(=O)Oc1nc(-c2ccc(F)cc2)oc1-c1ccsc1
InChIInChI=1S/C17H14FNO3S/c1-2-3-14(20)21-17-15(12-8-9-23-10-12)22-16(19-17)11-4-6-13(18)7-5-11/h4-10H,2-3H2,1H3
InChIKeyIZOCQOBMGHBOAS-UHFFFAOYSA-N
XLogP4.91
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[5-(5-chlorothiophen-2-yl)-2-(4-fluorophenyl)-1,3-oxazol-4-yl] butanoate
CID 67547189
[5-(5-chlorothiophen-2-yl)-2-(4-fluorophenyl)-1,3-oxazol-4-yl] 2-methylidenebutanoate
CID 67548736
2-[2-(4-fluorophenyl)-5-thiophen-3-yl-1,3-oxazol-4-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 59384758
(4-methyl-2-phenyl-1,3-oxazol-5-yl) butanoate
CID 90736452
sodium;N-[2-[2-(4-fluorophenyl)-5-thiophen-3-yl-1,3-oxazol-4-yl]ethyl]methanesulfonamide;hydride
CID 173080381
2-[2-(4-methylsulfanylphenyl)-5-thiophen-3-yl-1,3-oxazol-4-yl]acetic acid
CID 59384476
ethyl 2-[2-(4-fluorophenyl)-5-(furan-3-yl)-1,3-oxazol-4-yl]acetate
CID 13392297
[2-[4-(7-hexanoyloxy-4-oxo-3,1-benzoxazin-2-yl)phenyl]-4-oxo-3,1-benzoxazin-7-yl] hexanoate
CID 139648468
ethyl 2-[2-(4-fluorophenyl)-5-(5-formyl-4-methylthiophen-2-yl)-1,3-oxazol-4-yl]acetate
CID 59384959
N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 38031473
ethyl 2-(2-propan-2-yl-5-thiophen-3-yl-1,3-oxazol-4-yl)acetate
CID 14091134
[2-fluoro-4-(4-fluorophenyl)phenyl] butanoate;[2-fluoro-4-(4-fluorophenyl)phenyl] propanoate
CID 23174129

Frequently Asked Questions

What is the IUPAC name of [2-(4-fluorophenyl)-5-thiophen-3-yl-1,3-oxazol-4-yl] butanoate?
The IUPAC name of [2-(4-fluorophenyl)-5-thiophen-3-yl-1,3-oxazol-4-yl] butanoate (CID 67549415) is [2-(4-fluorophenyl)-5-thiophen-3-yl-1,3-oxazol-4-yl] butanoate.
What is the SMILES notation for [2-(4-fluorophenyl)-5-thiophen-3-yl-1,3-oxazol-4-yl] butanoate?
The canonical SMILES for [2-(4-fluorophenyl)-5-thiophen-3-yl-1,3-oxazol-4-yl] butanoate is CCCC(=O)Oc1nc(-c2ccc(F)cc2)oc1-c1ccsc1.
What is the InChIKey of [2-(4-fluorophenyl)-5-thiophen-3-yl-1,3-oxazol-4-yl] butanoate?
The InChIKey is IZOCQOBMGHBOAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FNO3S/c1-2-3-14(20)21-17-15(12-8-9-23-10-12)22-16(19-17)11-4-6-13(18)7-5-11/h4-10H,2-3H2,1H3.
What are the key properties of [2-(4-fluorophenyl)-5-thiophen-3-yl-1,3-oxazol-4-yl] butanoate?
[2-(4-fluorophenyl)-5-thiophen-3-yl-1,3-oxazol-4-yl] butanoate has a molecular weight of 331.37 g/mol, XLogP of 4.91, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluorophenyl)-5-thiophen-3-yl-1,3-oxazol-4-yl] butanoate is sourced from PubChem (CID 67549415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).