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

C17H13ClFNO3S — CID 67547189

IUPAC[5-(5-chlorothiophen-2-yl)-2-(4-fluorophenyl)-1,3-oxazol-4-yl] butanoate
SMILESCCCC(=O)Oc1nc(-c2ccc(F)cc2)oc1-c1ccc(Cl)s1
InChIInChI=1S/C17H13ClFNO3S/c1-2-3-14(21)22-17-15(12-8-9-13(18)24-12)23-16(20-17)10-4-6-11(19)7-5-10/h4-9H,2-3H2,1H3
InChIKeyYDXZCZAMIRDWCV-UHFFFAOYSA-N
MW365.81 g/mol
LogP5.57
Rot. Bonds5

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

[5-(5-chlorothiophen-2-yl)-2-(4-fluorophenyl)-1,3-oxazol-4-yl] butanoate (PubChem CID 67547189) has the molecular formula C17H13ClFNO3S and a molecular weight of 365.81 g/mol. Its IUPAC name is [5-(5-chlorothiophen-2-yl)-2-(4-fluorophenyl)-1,3-oxazol-4-yl] butanoate.

Molecular Properties

Compound Name[5-(5-chlorothiophen-2-yl)-2-(4-fluorophenyl)-1,3-oxazol-4-yl] butanoate
PubChem CID67547189
Molecular FormulaC17H13ClFNO3S
Molecular Weight365.81 g/mol
Exact Mass365.03
IUPAC Name[5-(5-chlorothiophen-2-yl)-2-(4-fluorophenyl)-1,3-oxazol-4-yl] butanoate
SMILESCCCC(=O)Oc1nc(-c2ccc(F)cc2)oc1-c1ccc(Cl)s1
InChIInChI=1S/C17H13ClFNO3S/c1-2-3-14(21)22-17-15(12-8-9-13(18)24-12)23-16(20-17)10-4-6-11(19)7-5-10/h4-9H,2-3H2,1H3
InChIKeyYDXZCZAMIRDWCV-UHFFFAOYSA-N
XLogP5.57
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.81
LogP ≤ 55.57
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] 2-methylidenebutanoate
CID 67548736
[2-(4-fluorophenyl)-5-thiophen-3-yl-1,3-oxazol-4-yl] butanoate
CID 67549415
sodium 2-[4-(5-chlorothiophen-2-yl)-2-(4-fluorophenyl)-1,3-oxazol-5-yl]acetate
CID 67547495
ethyl 2-[2-(4-fluorophenyl)-5-(5-formyl-4-methylthiophen-2-yl)-1,3-oxazol-4-yl]acetate
CID 59384959
2-[5-(5-chlorothiophen-2-yl)-2-[4-(methylsulfanylmethyl)phenyl]-1,3-oxazol-4-yl]acetate
CID 59384707
2-[5-(5-chlorothiophen-2-yl)-2-(6-methyl-3-pyridinyl)-1,3-oxazol-4-yl]acetic acid
CID 59384609
ethyl 2-[2-(4-fluorophenyl)-5-(furan-3-yl)-1,3-oxazol-4-yl]acetate
CID 13392297
[2-fluoro-4-(4-fluorophenyl)phenyl] butanoate;[2-fluoro-4-(4-fluorophenyl)phenyl] propanoate
CID 23174129
(4-methyl-2-phenyl-1,3-oxazol-5-yl) butanoate
CID 90736452
methyl 4-[4-(5-chlorothiophen-2-yl)-1,3-oxazol-2-yl]benzoate
CID 18613894
ethyl 2-[2-(4-chlorophenyl)-5-thiophen-2-yl-1,3-oxazol-4-yl]acetate
CID 13105457
2-[5-(5-chlorothiophen-2-yl)-2-(3-methylsulfanylphenyl)-1,3-oxazol-4-yl]acetic acid
CID 59385022

Frequently Asked Questions

What is the IUPAC name of [5-(5-chlorothiophen-2-yl)-2-(4-fluorophenyl)-1,3-oxazol-4-yl] butanoate?
The IUPAC name of [5-(5-chlorothiophen-2-yl)-2-(4-fluorophenyl)-1,3-oxazol-4-yl] butanoate (CID 67547189) is [5-(5-chlorothiophen-2-yl)-2-(4-fluorophenyl)-1,3-oxazol-4-yl] butanoate.
What is the SMILES notation for [5-(5-chlorothiophen-2-yl)-2-(4-fluorophenyl)-1,3-oxazol-4-yl] butanoate?
The canonical SMILES for [5-(5-chlorothiophen-2-yl)-2-(4-fluorophenyl)-1,3-oxazol-4-yl] butanoate is CCCC(=O)Oc1nc(-c2ccc(F)cc2)oc1-c1ccc(Cl)s1.
What is the InChIKey of [5-(5-chlorothiophen-2-yl)-2-(4-fluorophenyl)-1,3-oxazol-4-yl] butanoate?
The InChIKey is YDXZCZAMIRDWCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClFNO3S/c1-2-3-14(21)22-17-15(12-8-9-13(18)24-12)23-16(20-17)10-4-6-11(19)7-5-10/h4-9H,2-3H2,1H3.
What are the key properties of [5-(5-chlorothiophen-2-yl)-2-(4-fluorophenyl)-1,3-oxazol-4-yl] butanoate?
[5-(5-chlorothiophen-2-yl)-2-(4-fluorophenyl)-1,3-oxazol-4-yl] butanoate has a molecular weight of 365.81 g/mol, XLogP of 5.57, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(5-chlorothiophen-2-yl)-2-(4-fluorophenyl)-1,3-oxazol-4-yl] butanoate is sourced from PubChem (CID 67547189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).