5-(3-chlorothiophen-2-yl)-2-phenyl-1,3-oxazole-4-carboxylic acid

C14H8ClNO3S — CID 80644367

IUPAC5-(3-chlorothiophen-2-yl)-2-phenyl-1,3-oxazole-4-carboxylic acid
SMILESO=C(O)c1nc(-c2ccccc2)oc1-c1sccc1Cl
InChIInChI=1S/C14H8ClNO3S/c15-9-6-7-20-12(9)11-10(14(17)18)16-13(19-11)8-4-2-1-3-5-8/h1-7H,(H,17,18)
InChIKeyUJQYOCZRKGAOBV-UHFFFAOYSA-N
MW305.74 g/mol
LogP4.42
Rot. Bonds3

About 5-(3-chlorothiophen-2-yl)-2-phenyl-1,3-oxazole-4-carboxylic acid

5-(3-chlorothiophen-2-yl)-2-phenyl-1,3-oxazole-4-carboxylic acid (PubChem CID 80644367) has the molecular formula C14H8ClNO3S and a molecular weight of 305.74 g/mol. Its IUPAC name is 5-(3-chlorothiophen-2-yl)-2-phenyl-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(3-chlorothiophen-2-yl)-2-phenyl-1,3-oxazole-4-carboxylic acid
PubChem CID80644367
Molecular FormulaC14H8ClNO3S
Molecular Weight305.74 g/mol
Exact Mass304.99
IUPAC Name5-(3-chlorothiophen-2-yl)-2-phenyl-1,3-oxazole-4-carboxylic acid
SMILESO=C(O)c1nc(-c2ccccc2)oc1-c1sccc1Cl
InChIInChI=1S/C14H8ClNO3S/c15-9-6-7-20-12(9)11-10(14(17)18)16-13(19-11)8-4-2-1-3-5-8/h1-7H,(H,17,18)
InChIKeyUJQYOCZRKGAOBV-UHFFFAOYSA-N
XLogP4.42
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.74
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorothiophen-2-yl)-2-phenyl-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 5-(3-chlorothiophen-2-yl)-2-phenyl-1,3-oxazole-4-carboxylic acid (CID 80644367) is 5-(3-chlorothiophen-2-yl)-2-phenyl-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 5-(3-chlorothiophen-2-yl)-2-phenyl-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 5-(3-chlorothiophen-2-yl)-2-phenyl-1,3-oxazole-4-carboxylic acid is O=C(O)c1nc(-c2ccccc2)oc1-c1sccc1Cl.
What is the InChIKey of 5-(3-chlorothiophen-2-yl)-2-phenyl-1,3-oxazole-4-carboxylic acid?
The InChIKey is UJQYOCZRKGAOBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClNO3S/c15-9-6-7-20-12(9)11-10(14(17)18)16-13(19-11)8-4-2-1-3-5-8/h1-7H,(H,17,18).
What are the key properties of 5-(3-chlorothiophen-2-yl)-2-phenyl-1,3-oxazole-4-carboxylic acid?
5-(3-chlorothiophen-2-yl)-2-phenyl-1,3-oxazole-4-carboxylic acid has a molecular weight of 305.74 g/mol, XLogP of 4.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorothiophen-2-yl)-2-phenyl-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 80644367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).