5-(2-chloro-3-fluorophenyl)-2-thiophen-2-yl-1,3-oxazole-4-carboxylic acid

C14H7ClFNO3S — CID 81454327

IUPAC5-(2-chloro-3-fluorophenyl)-2-thiophen-2-yl-1,3-oxazole-4-carboxylic acid
SMILESO=C(O)c1nc(-c2cccs2)oc1-c1cccc(F)c1Cl
InChIInChI=1S/C14H7ClFNO3S/c15-10-7(3-1-4-8(10)16)12-11(14(18)19)17-13(20-12)9-5-2-6-21-9/h1-6H,(H,18,19)
InChIKeyHASHLEPEIXAQTB-UHFFFAOYSA-N
MW323.73 g/mol
LogP4.56
Rot. Bonds3

About 5-(2-chloro-3-fluorophenyl)-2-thiophen-2-yl-1,3-oxazole-4-carboxylic acid

5-(2-chloro-3-fluorophenyl)-2-thiophen-2-yl-1,3-oxazole-4-carboxylic acid (PubChem CID 81454327) has the molecular formula C14H7ClFNO3S and a molecular weight of 323.73 g/mol. Its IUPAC name is 5-(2-chloro-3-fluorophenyl)-2-thiophen-2-yl-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(2-chloro-3-fluorophenyl)-2-thiophen-2-yl-1,3-oxazole-4-carboxylic acid
PubChem CID81454327
Molecular FormulaC14H7ClFNO3S
Molecular Weight323.73 g/mol
Exact Mass322.98
IUPAC Name5-(2-chloro-3-fluorophenyl)-2-thiophen-2-yl-1,3-oxazole-4-carboxylic acid
SMILESO=C(O)c1nc(-c2cccs2)oc1-c1cccc(F)c1Cl
InChIInChI=1S/C14H7ClFNO3S/c15-10-7(3-1-4-8(10)16)12-11(14(18)19)17-13(20-12)9-5-2-6-21-9/h1-6H,(H,18,19)
InChIKeyHASHLEPEIXAQTB-UHFFFAOYSA-N
XLogP4.56
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.73
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-3-fluorophenyl)-2-thiophen-2-yl-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 5-(2-chloro-3-fluorophenyl)-2-thiophen-2-yl-1,3-oxazole-4-carboxylic acid (CID 81454327) is 5-(2-chloro-3-fluorophenyl)-2-thiophen-2-yl-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 5-(2-chloro-3-fluorophenyl)-2-thiophen-2-yl-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 5-(2-chloro-3-fluorophenyl)-2-thiophen-2-yl-1,3-oxazole-4-carboxylic acid is O=C(O)c1nc(-c2cccs2)oc1-c1cccc(F)c1Cl.
What is the InChIKey of 5-(2-chloro-3-fluorophenyl)-2-thiophen-2-yl-1,3-oxazole-4-carboxylic acid?
The InChIKey is HASHLEPEIXAQTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7ClFNO3S/c15-10-7(3-1-4-8(10)16)12-11(14(18)19)17-13(20-12)9-5-2-6-21-9/h1-6H,(H,18,19).
What are the key properties of 5-(2-chloro-3-fluorophenyl)-2-thiophen-2-yl-1,3-oxazole-4-carboxylic acid?
5-(2-chloro-3-fluorophenyl)-2-thiophen-2-yl-1,3-oxazole-4-carboxylic acid has a molecular weight of 323.73 g/mol, XLogP of 4.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-3-fluorophenyl)-2-thiophen-2-yl-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 81454327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).