2-chloro-3-(1,3-oxazol-2-yl)-4-(trifluoromethoxy)benzoic acid

C11H5ClF3NO4 — CID 177043637

IUPAC2-chloro-3-(1,3-oxazol-2-yl)-4-(trifluoromethoxy)benzoic acid
SMILESO=C(O)c1ccc(OC(F)(F)F)c(-c2ncco2)c1Cl
InChIInChI=1S/C11H5ClF3NO4/c12-8-5(10(17)18)1-2-6(20-11(13,14)15)7(8)9-16-3-4-19-9/h1-4H,(H,17,18)
InChIKeyHLGYTUONCNJUSN-UHFFFAOYSA-N
MW307.61 g/mol
LogP3.59
Rot. Bonds3

About 2-chloro-3-(1,3-oxazol-2-yl)-4-(trifluoromethoxy)benzoic acid

2-chloro-3-(1,3-oxazol-2-yl)-4-(trifluoromethoxy)benzoic acid (PubChem CID 177043637) has the molecular formula C11H5ClF3NO4 and a molecular weight of 307.61 g/mol. Its IUPAC name is 2-chloro-3-(1,3-oxazol-2-yl)-4-(trifluoromethoxy)benzoic acid.

Molecular Properties

Compound Name2-chloro-3-(1,3-oxazol-2-yl)-4-(trifluoromethoxy)benzoic acid
PubChem CID177043637
Molecular FormulaC11H5ClF3NO4
Molecular Weight307.61 g/mol
Exact Mass306.99
IUPAC Name2-chloro-3-(1,3-oxazol-2-yl)-4-(trifluoromethoxy)benzoic acid
SMILESO=C(O)c1ccc(OC(F)(F)F)c(-c2ncco2)c1Cl
InChIInChI=1S/C11H5ClF3NO4/c12-8-5(10(17)18)1-2-6(20-11(13,14)15)7(8)9-16-3-4-19-9/h1-4H,(H,17,18)
InChIKeyHLGYTUONCNJUSN-UHFFFAOYSA-N
XLogP3.59
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.61
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-(1,3-oxazol-2-yl)-4-(trifluoromethoxy)benzoic acid?
The IUPAC name of 2-chloro-3-(1,3-oxazol-2-yl)-4-(trifluoromethoxy)benzoic acid (CID 177043637) is 2-chloro-3-(1,3-oxazol-2-yl)-4-(trifluoromethoxy)benzoic acid.
What is the SMILES notation for 2-chloro-3-(1,3-oxazol-2-yl)-4-(trifluoromethoxy)benzoic acid?
The canonical SMILES for 2-chloro-3-(1,3-oxazol-2-yl)-4-(trifluoromethoxy)benzoic acid is O=C(O)c1ccc(OC(F)(F)F)c(-c2ncco2)c1Cl.
What is the InChIKey of 2-chloro-3-(1,3-oxazol-2-yl)-4-(trifluoromethoxy)benzoic acid?
The InChIKey is HLGYTUONCNJUSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5ClF3NO4/c12-8-5(10(17)18)1-2-6(20-11(13,14)15)7(8)9-16-3-4-19-9/h1-4H,(H,17,18).
What are the key properties of 2-chloro-3-(1,3-oxazol-2-yl)-4-(trifluoromethoxy)benzoic acid?
2-chloro-3-(1,3-oxazol-2-yl)-4-(trifluoromethoxy)benzoic acid has a molecular weight of 307.61 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-(1,3-oxazol-2-yl)-4-(trifluoromethoxy)benzoic acid is sourced from PubChem (CID 177043637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).