5-[(2,4-difluorobenzoyl)amino]-3-(1,3-thiazol-2-yl)-1,2-oxazole-4-carboxylic acid

C14H7F2N3O4S — CID 142773843

IUPAC5-[(2,4-difluorobenzoyl)amino]-3-(1,3-thiazol-2-yl)-1,2-oxazole-4-carboxylic acid
SMILESO=C(Nc1onc(-c2nccs2)c1C(=O)O)c1ccc(F)cc1F
InChIInChI=1S/C14H7F2N3O4S/c15-6-1-2-7(8(16)5-6)11(20)18-12-9(14(21)22)10(19-23-12)13-17-3-4-24-13/h1-5H,(H,18,20)(H,21,22)
InChIKeyRQGLJYWIUFDSGW-UHFFFAOYSA-N
MW351.29 g/mol
LogP3.03
Rot. Bonds4

About 5-[(2,4-difluorobenzoyl)amino]-3-(1,3-thiazol-2-yl)-1,2-oxazole-4-carboxylic acid

5-[(2,4-difluorobenzoyl)amino]-3-(1,3-thiazol-2-yl)-1,2-oxazole-4-carboxylic acid (PubChem CID 142773843) has the molecular formula C14H7F2N3O4S and a molecular weight of 351.29 g/mol. Its IUPAC name is 5-[(2,4-difluorobenzoyl)amino]-3-(1,3-thiazol-2-yl)-1,2-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[(2,4-difluorobenzoyl)amino]-3-(1,3-thiazol-2-yl)-1,2-oxazole-4-carboxylic acid
PubChem CID142773843
Molecular FormulaC14H7F2N3O4S
Molecular Weight351.29 g/mol
Exact Mass351.01
IUPAC Name5-[(2,4-difluorobenzoyl)amino]-3-(1,3-thiazol-2-yl)-1,2-oxazole-4-carboxylic acid
SMILESO=C(Nc1onc(-c2nccs2)c1C(=O)O)c1ccc(F)cc1F
InChIInChI=1S/C14H7F2N3O4S/c15-6-1-2-7(8(16)5-6)11(20)18-12-9(14(21)22)10(19-23-12)13-17-3-4-24-13/h1-5H,(H,18,20)(H,21,22)
InChIKeyRQGLJYWIUFDSGW-UHFFFAOYSA-N
XLogP3.03
TPSA105.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.29
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(2,4-difluorobenzoyl)amino]-3-(1,3-thiazol-2-yl)-1,2-oxazole-4-carboxylic acid?
The IUPAC name of 5-[(2,4-difluorobenzoyl)amino]-3-(1,3-thiazol-2-yl)-1,2-oxazole-4-carboxylic acid (CID 142773843) is 5-[(2,4-difluorobenzoyl)amino]-3-(1,3-thiazol-2-yl)-1,2-oxazole-4-carboxylic acid.
What is the SMILES notation for 5-[(2,4-difluorobenzoyl)amino]-3-(1,3-thiazol-2-yl)-1,2-oxazole-4-carboxylic acid?
The canonical SMILES for 5-[(2,4-difluorobenzoyl)amino]-3-(1,3-thiazol-2-yl)-1,2-oxazole-4-carboxylic acid is O=C(Nc1onc(-c2nccs2)c1C(=O)O)c1ccc(F)cc1F.
What is the InChIKey of 5-[(2,4-difluorobenzoyl)amino]-3-(1,3-thiazol-2-yl)-1,2-oxazole-4-carboxylic acid?
The InChIKey is RQGLJYWIUFDSGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7F2N3O4S/c15-6-1-2-7(8(16)5-6)11(20)18-12-9(14(21)22)10(19-23-12)13-17-3-4-24-13/h1-5H,(H,18,20)(H,21,22).
What are the key properties of 5-[(2,4-difluorobenzoyl)amino]-3-(1,3-thiazol-2-yl)-1,2-oxazole-4-carboxylic acid?
5-[(2,4-difluorobenzoyl)amino]-3-(1,3-thiazol-2-yl)-1,2-oxazole-4-carboxylic acid has a molecular weight of 351.29 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,4-difluorobenzoyl)amino]-3-(1,3-thiazol-2-yl)-1,2-oxazole-4-carboxylic acid is sourced from PubChem (CID 142773843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).