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

C15H10FNO3S — CID 3069787

IUPAC2-[2-(4-fluorophenyl)-5-thiophen-3-yl-1,3-oxazol-4-yl]acetic acid
SMILESO=C(O)Cc1nc(-c2ccc(F)cc2)oc1-c1ccsc1
InChIInChI=1S/C15H10FNO3S/c16-11-3-1-9(2-4-11)15-17-12(7-13(18)19)14(20-15)10-5-6-21-8-10/h1-6,8H,7H2,(H,18,19)
InChIKeySCEWIPICHQDLEK-UHFFFAOYSA-N
MW303.31 g/mol
LogP3.84
Rot. Bonds4

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

2-[2-(4-fluorophenyl)-5-thiophen-3-yl-1,3-oxazol-4-yl]acetic acid (PubChem CID 3069787) has the molecular formula C15H10FNO3S and a molecular weight of 303.31 g/mol. Its IUPAC name is 2-[2-(4-fluorophenyl)-5-thiophen-3-yl-1,3-oxazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(4-fluorophenyl)-5-thiophen-3-yl-1,3-oxazol-4-yl]acetic acid
PubChem CID3069787
Molecular FormulaC15H10FNO3S
Molecular Weight303.31 g/mol
Exact Mass303.04
IUPAC Name2-[2-(4-fluorophenyl)-5-thiophen-3-yl-1,3-oxazol-4-yl]acetic acid
SMILESO=C(O)Cc1nc(-c2ccc(F)cc2)oc1-c1ccsc1
InChIInChI=1S/C15H10FNO3S/c16-11-3-1-9(2-4-11)15-17-12(7-13(18)19)14(20-15)10-5-6-21-8-10/h1-6,8H,7H2,(H,18,19)
InChIKeySCEWIPICHQDLEK-UHFFFAOYSA-N
XLogP3.84
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.31
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(S)-2-Methyl-3-{4-[2-(5-methyl-2-thiophen-2-yl-oxazol-4-yl)-ethoxy]-phenyl}-2-phenoxy-propionic acid
CID 9890585
Phenylpropanoic acid derivative, 17a
CID 44246273
(2S)-2-ethoxy-3-[4-[2-[5-methyl-2-(5-methylthiophen-2-yl)-1,3-oxazol-4-yl]ethoxy]phenyl]propanoic acid
CID 53233135
(2S)-2-ethoxy-3-[4-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethoxy]phenyl]propanoic acid
CID 56669689
(2S)-2-ethoxy-3-[4-[2-[5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]ethoxy]phenyl]propanoic acid
CID 56669690
(2S)-2-ethoxy-3-[4-[2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)ethoxy]phenyl]propanoic acid
CID 56679850
5-Methyl-2-phenyl-4-oxazoleacetic acid
CID 2775139
2-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]-N-(thiophen-2-ylmethyl)acetamide
CID 5308665
5-(4-Methanesulfonyl-phenyl)-2-methyl-4-(5-methyl-thiophen-2-yl)-oxazole
CID 10088207
2-Methyl-3-{4-[2-(5-methyl-2-thiophen-2-yl-oxazol-4-yl)-ethoxy]-phenyl}-2-phenoxy-propionic acid
CID 10276539
(R)-2-Methyl-3-{4-[2-(5-methyl-2-thiophen-2-yl-oxazol-4-yl)-ethoxy]-phenyl}-2-phenoxy-propionic acid
CID 11431192
(2S)-2-ethoxy-3-[4-[2-[5-methyl-2-(5-phenylthiophen-2-yl)-1,3-oxazol-4-yl]ethoxy]phenyl]propanoic acid
CID 56673196

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluorophenyl)-5-thiophen-3-yl-1,3-oxazol-4-yl]acetic acid?
The IUPAC name of 2-[2-(4-fluorophenyl)-5-thiophen-3-yl-1,3-oxazol-4-yl]acetic acid (CID 3069787) is 2-[2-(4-fluorophenyl)-5-thiophen-3-yl-1,3-oxazol-4-yl]acetic acid.
What is the SMILES notation for 2-[2-(4-fluorophenyl)-5-thiophen-3-yl-1,3-oxazol-4-yl]acetic acid?
The canonical SMILES for 2-[2-(4-fluorophenyl)-5-thiophen-3-yl-1,3-oxazol-4-yl]acetic acid is O=C(O)Cc1nc(-c2ccc(F)cc2)oc1-c1ccsc1.
What is the InChIKey of 2-[2-(4-fluorophenyl)-5-thiophen-3-yl-1,3-oxazol-4-yl]acetic acid?
The InChIKey is SCEWIPICHQDLEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FNO3S/c16-11-3-1-9(2-4-11)15-17-12(7-13(18)19)14(20-15)10-5-6-21-8-10/h1-6,8H,7H2,(H,18,19).
What are the key properties of 2-[2-(4-fluorophenyl)-5-thiophen-3-yl-1,3-oxazol-4-yl]acetic acid?
2-[2-(4-fluorophenyl)-5-thiophen-3-yl-1,3-oxazol-4-yl]acetic acid has a molecular weight of 303.31 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluorophenyl)-5-thiophen-3-yl-1,3-oxazol-4-yl]acetic acid is sourced from PubChem (CID 3069787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).