2-(2-chlorophenyl)-1,3-benzoxazole-4-carboxylic acid;2-(3-chlorophenyl)-1,3-benzoxazole-4-carboxylic acid;2-(3-chlorophenyl)-1,3-benzoxazole-7-carboxylic acid;2-(4-chlorophenyl)-1,3-benzoxazole-4-carboxylic acid;2-(4-chlorophenyl)-1,3-benzoxazole-7-carboxylic acid;2-(2-fluorophenyl)-1,3-benzoxazole-4-carboxylic acid;2-(3-fluorophenyl)-1,3-benzoxazole-7-carboxylic acid;2-(4-fluorophenyl)-1,3-benzoxazole-7-carboxylic acid;2-phenyl-1,3-benzoxazole-4-carboxylic acid;2-phenyl-1,3-benzoxazole-7-carboxylic acid;2-pyridin-3-yl-1,3-benzoxazole-4-carboxylic acid

C153H90Cl5F3N12O33 — CID 158208617

About 2-(2-chlorophenyl)-1,3-benzoxazole-4-carboxylic acid;2-(3-chlorophenyl)-1,3-benzoxazole-4-carboxylic acid;2-(3-chlorophenyl)-1,3-benzoxazole-7-carboxylic acid;2-(4-chlorophenyl)-1,3-benzoxazole-4-carboxylic acid;2-(4-chlorophenyl)-1,3-benzoxazole-7-carboxylic acid;2-(2-fluorophenyl)-1,3-benzoxazole-4-carboxylic acid;2-(3-fluorophenyl)-1,3-benzoxazole-7-carboxylic acid;2-(4-fluorophenyl)-1,3-benzoxazole-7-carboxylic acid;2-phenyl-1,3-benzoxazole-4-carboxylic acid;2-phenyl-1,3-benzoxazole-7-carboxylic acid;2-pyridin-3-yl-1,3-benzoxazole-4-carboxylic acid

2-(2-chlorophenyl)-1,3-benzoxazole-4-carboxylic acid;2-(3-chlorophenyl)-1,3-benzoxazole-4-carboxylic acid;2-(3-chlorophenyl)-1,3-benzoxazole-7-carboxylic acid;2-(4-chlorophenyl)-1,3-benzoxazole-4-carboxylic acid;2-(4-chlorophenyl)-1,3-benzoxazole-7-carboxylic acid;2-(2-fluorophenyl)-1,3-benzoxazole-4-carboxylic acid;2-(3-fluorophenyl)-1,3-benzoxazole-7-carboxylic acid;2-(4-fluorophenyl)-1,3-benzoxazole-7-carboxylic acid;2-phenyl-1,3-benzoxazole-4-carboxylic acid;2-phenyl-1,3-benzoxazole-7-carboxylic acid;2-pyridin-3-yl-1,3-benzoxazole-4-carboxylic acid (PubChem CID 158208617) has the molecular formula C153H90Cl5F3N12O33 and a molecular weight of 2858.71 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-1,3-benzoxazole-4-carboxylic acid;2-(3-chlorophenyl)-1,3-benzoxazole-4-carboxylic acid;2-(3-chlorophenyl)-1,3-benzoxazole-7-carboxylic acid;2-(4-chlorophenyl)-1,3-benzoxazole-4-carboxylic acid;2-(4-chlorophenyl)-1,3-benzoxazole-7-carboxylic acid;2-(2-fluorophenyl)-1,3-benzoxazole-4-carboxylic acid;2-(3-fluorophenyl)-1,3-benzoxazole-7-carboxylic acid;2-(4-fluorophenyl)-1,3-benzoxazole-7-carboxylic acid;2-phenyl-1,3-benzoxazole-4-carboxylic acid;2-phenyl-1,3-benzoxazole-7-carboxylic acid;2-pyridin-3-yl-1,3-benzoxazole-4-carboxylic acid.

Molecular Properties

• Compound Name: 2-(2-chlorophenyl)-1,3-benzoxazole-4-carboxylic acid;2-(3-chlorophenyl)-1,3-benzoxazole-4-carboxylic acid;2-(3-chlorophenyl)-1,3-benzoxazole-7-carboxylic acid;2-(4-chlorophenyl)-1,3-benzoxazole-4-carboxylic acid;2-(4-chlorophenyl)-1,3-benzoxazole-7-carboxylic acid;2-(2-fluorophenyl)-1,3-benzoxazole-4-carboxylic acid;2-(3-fluorophenyl)-1,3-benzoxazole-7-carboxylic acid;2-(4-fluorophenyl)-1,3-benzoxazole-7-carboxylic acid;2-phenyl-1,3-benzoxazole-4-carboxylic acid;2-phenyl-1,3-benzoxazole-7-carboxylic acid;2-pyridin-3-yl-1,3-benzoxazole-4-carboxylic acid
• PubChem CID: 158208617
• Molecular Formula: C153H90Cl5F3N12O33
• Molecular Weight: 2858.71 g/mol
• Exact Mass: 2854.41
• IUPAC Name: 2-(2-chlorophenyl)-1,3-benzoxazole-4-carboxylic acid;2-(3-chlorophenyl)-1,3-benzoxazole-4-carboxylic acid;2-(3-chlorophenyl)-1,3-benzoxazole-7-carboxylic acid;2-(4-chlorophenyl)-1,3-benzoxazole-4-carboxylic acid;2-(4-chlorophenyl)-1,3-benzoxazole-7-carboxylic acid;2-(2-fluorophenyl)-1,3-benzoxazole-4-carboxylic acid;2-(3-fluorophenyl)-1,3-benzoxazole-7-carboxylic acid;2-(4-fluorophenyl)-1,3-benzoxazole-7-carboxylic acid;2-phenyl-1,3-benzoxazole-4-carboxylic acid;2-phenyl-1,3-benzoxazole-7-carboxylic acid;2-pyridin-3-yl-1,3-benzoxazole-4-carboxylic acid
• SMILES: O=C(O)c1cccc2nc(-c3ccc(Cl)cc3)oc12.O=C(O)c1cccc2nc(-c3ccc(F)cc3)oc12.O=C(O)c1cccc2nc(-c3cccc(Cl)c3)oc12.O=C(O)c1cccc2nc(-c3cccc(F)c3)oc12.O=C(O)c1cccc2nc(-c3ccccc3)oc12.O=C(O)c1cccc2oc(-c3ccc(Cl)cc3)nc12.O=C(O)c1cccc2oc(-c3cccc(Cl)c3)nc12.O=C(O)c1cccc2oc(-c3ccccc3)nc12.O=C(O)c1cccc2oc(-c3ccccc3Cl)nc12.O=C(O)c1cccc2oc(-c3ccccc3F)nc12.O=C(O)c1cccc2oc(-c3cccnc3)nc12
• InChI: InChI=1S/5C14H8ClNO3.3C14H8FNO3.2C14H9NO3.C13H8N2O3/c15-9-4-1-3-8(7-9)13-16-12-10(14(17)18)5-2-6-11(12)19-13;15-9-4-1-3-8(7-9)13-16-11-6-2-5-10(14(17)18)12(11)19-13;15-10-6-2-1-4-8(10)13-16-12-9(14(17)18)5-3-7-11(12)19-13;15-9-6-4-8(5-7-9)13-16-12-10(14(17)18)2-1-3-11(12)19-13;15-9-6-4-8(5-7-9)13-16-11-3-1-2-10(14(17)18)12(11)19-13;15-9-4-1-3-8(7-9)13-16-11-6-2-5-10(14(17)18)12(11)19-13;15-10-6-2-1-4-8(10)13-16-12-9(14(17)18)5-3-7-11(12)19-13;15-9-6-4-8(5-7-9)13-16-11-3-1-2-10(14(17)18)12(11)19-13;16-14(17)10-7-4-8-11-12(10)15-13(18-11)9-5-2-1-3-6-9;16-14(17)10-7-4-8-11-12(10)18-13(15-11)9-5-2-1-3-6-9;16-13(17)9-4-1-5-10-11(9)15-12(18-10)8-3-2-6-14-7-8/h8*1-7H,(H,17,18);2*1-8H,(H,16,17);1-7H,(H,16,17)
• InChIKey: GBUHMXWSWKIKLZ-UHFFFAOYSA-N
• XLogP: 38.20
• TPSA: 709.52 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 34
• Rotatable Bonds: 22
• Heavy Atoms: 206
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2858.71
LogP ≤ 5	38.20
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	34

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-1,3-benzoxazole-4-carboxylic acid;2-(3-chlorophenyl)-1,3-benzoxazole-4-carboxylic acid;2-(3-chlorophenyl)-1,3-benzoxazole-7-carboxylic acid;2-(4-chlorophenyl)-1,3-benzoxazole-4-carboxylic acid;2-(4-chlorophenyl)-1,3-benzoxazole-7-carboxylic acid;2-(2-fluorophenyl)-1,3-benzoxazole-4-carboxylic acid;2-(3-fluorophenyl)-1,3-benzoxazole-7-carboxylic acid;2-(4-fluorophenyl)-1,3-benzoxazole-7-carboxylic acid;2-phenyl-1,3-benzoxazole-4-carboxylic acid;2-phenyl-1,3-benzoxazole-7-carboxylic acid;2-pyridin-3-yl-1,3-benzoxazole-4-carboxylic acid?

The IUPAC name of 2-(2-chlorophenyl)-1,3-benzoxazole-4-carboxylic acid;2-(3-chlorophenyl)-1,3-benzoxazole-4-carboxylic acid;2-(3-chlorophenyl)-1,3-benzoxazole-7-carboxylic acid;2-(4-chlorophenyl)-1,3-benzoxazole-4-carboxylic acid;2-(4-chlorophenyl)-1,3-benzoxazole-7-carboxylic acid;2-(2-fluorophenyl)-1,3-benzoxazole-4-carboxylic acid;2-(3-fluorophenyl)-1,3-benzoxazole-7-carboxylic acid;2-(4-fluorophenyl)-1,3-benzoxazole-7-carboxylic acid;2-phenyl-1,3-benzoxazole-4-carboxylic acid;2-phenyl-1,3-benzoxazole-7-carboxylic acid;2-pyridin-3-yl-1,3-benzoxazole-4-carboxylic acid (CID 158208617) is 2-(2-chlorophenyl)-1,3-benzoxazole-4-carboxylic acid;2-(3-chlorophenyl)-1,3-benzoxazole-4-carboxylic acid;2-(3-chlorophenyl)-1,3-benzoxazole-7-carboxylic acid;2-(4-chlorophenyl)-1,3-benzoxazole-4-carboxylic acid;2-(4-chlorophenyl)-1,3-benzoxazole-7-carboxylic acid;2-(2-fluorophenyl)-1,3-benzoxazole-4-carboxylic acid;2-(3-fluorophenyl)-1,3-benzoxazole-7-carboxylic acid;2-(4-fluorophenyl)-1,3-benzoxazole-7-carboxylic acid;2-phenyl-1,3-benzoxazole-4-carboxylic acid;2-phenyl-1,3-benzoxazole-7-carboxylic acid;2-pyridin-3-yl-1,3-benzoxazole-4-carboxylic acid.

What is the SMILES notation for 2-(2-chlorophenyl)-1,3-benzoxazole-4-carboxylic acid;2-(3-chlorophenyl)-1,3-benzoxazole-4-carboxylic acid;2-(3-chlorophenyl)-1,3-benzoxazole-7-carboxylic acid;2-(4-chlorophenyl)-1,3-benzoxazole-4-carboxylic acid;2-(4-chlorophenyl)-1,3-benzoxazole-7-carboxylic acid;2-(2-fluorophenyl)-1,3-benzoxazole-4-carboxylic acid;2-(3-fluorophenyl)-1,3-benzoxazole-7-carboxylic acid;2-(4-fluorophenyl)-1,3-benzoxazole-7-carboxylic acid;2-phenyl-1,3-benzoxazole-4-carboxylic acid;2-phenyl-1,3-benzoxazole-7-carboxylic acid;2-pyridin-3-yl-1,3-benzoxazole-4-carboxylic acid?

The canonical SMILES for 2-(2-chlorophenyl)-1,3-benzoxazole-4-carboxylic acid;2-(3-chlorophenyl)-1,3-benzoxazole-4-carboxylic acid;2-(3-chlorophenyl)-1,3-benzoxazole-7-carboxylic acid;2-(4-chlorophenyl)-1,3-benzoxazole-4-carboxylic acid;2-(4-chlorophenyl)-1,3-benzoxazole-7-carboxylic acid;2-(2-fluorophenyl)-1,3-benzoxazole-4-carboxylic acid;2-(3-fluorophenyl)-1,3-benzoxazole-7-carboxylic acid;2-(4-fluorophenyl)-1,3-benzoxazole-7-carboxylic acid;2-phenyl-1,3-benzoxazole-4-carboxylic acid;2-phenyl-1,3-benzoxazole-7-carboxylic acid;2-pyridin-3-yl-1,3-benzoxazole-4-carboxylic acid is O=C(O)c1cccc2nc(-c3ccc(Cl)cc3)oc12.O=C(O)c1cccc2nc(-c3ccc(F)cc3)oc12.O=C(O)c1cccc2nc(-c3cccc(Cl)c3)oc12.O=C(O)c1cccc2nc(-c3cccc(F)c3)oc12.O=C(O)c1cccc2nc(-c3ccccc3)oc12.O=C(O)c1cccc2oc(-c3ccc(Cl)cc3)nc12.O=C(O)c1cccc2oc(-c3cccc(Cl)c3)nc12.O=C(O)c1cccc2oc(-c3ccccc3)nc12.O=C(O)c1cccc2oc(-c3ccccc3Cl)nc12.O=C(O)c1cccc2oc(-c3ccccc3F)nc12.O=C(O)c1cccc2oc(-c3cccnc3)nc12.

What is the InChIKey of 2-(2-chlorophenyl)-1,3-benzoxazole-4-carboxylic acid;2-(3-chlorophenyl)-1,3-benzoxazole-4-carboxylic acid;2-(3-chlorophenyl)-1,3-benzoxazole-7-carboxylic acid;2-(4-chlorophenyl)-1,3-benzoxazole-4-carboxylic acid;2-(4-chlorophenyl)-1,3-benzoxazole-7-carboxylic acid;2-(2-fluorophenyl)-1,3-benzoxazole-4-carboxylic acid;2-(3-fluorophenyl)-1,3-benzoxazole-7-carboxylic acid;2-(4-fluorophenyl)-1,3-benzoxazole-7-carboxylic acid;2-phenyl-1,3-benzoxazole-4-carboxylic acid;2-phenyl-1,3-benzoxazole-7-carboxylic acid;2-pyridin-3-yl-1,3-benzoxazole-4-carboxylic acid?

The InChIKey is GBUHMXWSWKIKLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/5C14H8ClNO3.3C14H8FNO3.2C14H9NO3.C13H8N2O3/c15-9-4-1-3-8(7-9)13-16-12-10(14(17)18)5-2-6-11(12)19-13;15-9-4-1-3-8(7-9)13-16-11-6-2-5-10(14(17)18)12(11)19-13;15-10-6-2-1-4-8(10)13-16-12-9(14(17)18)5-3-7-11(12)19-13;15-9-6-4-8(5-7-9)13-16-12-10(14(17)18)2-1-3-11(12)19-13;15-9-6-4-8(5-7-9)13-16-11-3-1-2-10(14(17)18)12(11)19-13;15-9-4-1-3-8(7-9)13-16-11-6-2-5-10(14(17)18)12(11)19-13;15-10-6-2-1-4-8(10)13-16-12-9(14(17)18)5-3-7-11(12)19-13;15-9-6-4-8(5-7-9)13-16-11-3-1-2-10(14(17)18)12(11)19-13;16-14(17)10-7-4-8-11-12(10)15-13(18-11)9-5-2-1-3-6-9;16-14(17)10-7-4-8-11-12(10)18-13(15-11)9-5-2-1-3-6-9;16-13(17)9-4-1-5-10-11(9)15-12(18-10)8-3-2-6-14-7-8/h8*1-7H,(H,17,18);2*1-8H,(H,16,17);1-7H,(H,16,17).

What are the key properties of 2-(2-chlorophenyl)-1,3-benzoxazole-4-carboxylic acid;2-(3-chlorophenyl)-1,3-benzoxazole-4-carboxylic acid;2-(3-chlorophenyl)-1,3-benzoxazole-7-carboxylic acid;2-(4-chlorophenyl)-1,3-benzoxazole-4-carboxylic acid;2-(4-chlorophenyl)-1,3-benzoxazole-7-carboxylic acid;2-(2-fluorophenyl)-1,3-benzoxazole-4-carboxylic acid;2-(3-fluorophenyl)-1,3-benzoxazole-7-carboxylic acid;2-(4-fluorophenyl)-1,3-benzoxazole-7-carboxylic acid;2-phenyl-1,3-benzoxazole-4-carboxylic acid;2-phenyl-1,3-benzoxazole-7-carboxylic acid;2-pyridin-3-yl-1,3-benzoxazole-4-carboxylic acid?

2-(2-chlorophenyl)-1,3-benzoxazole-4-carboxylic acid;2-(3-chlorophenyl)-1,3-benzoxazole-4-carboxylic acid;2-(3-chlorophenyl)-1,3-benzoxazole-7-carboxylic acid;2-(4-chlorophenyl)-1,3-benzoxazole-4-carboxylic acid;2-(4-chlorophenyl)-1,3-benzoxazole-7-carboxylic acid;2-(2-fluorophenyl)-1,3-benzoxazole-4-carboxylic acid;2-(3-fluorophenyl)-1,3-benzoxazole-7-carboxylic acid;2-(4-fluorophenyl)-1,3-benzoxazole-7-carboxylic acid;2-phenyl-1,3-benzoxazole-4-carboxylic acid;2-phenyl-1,3-benzoxazole-7-carboxylic acid;2-pyridin-3-yl-1,3-benzoxazole-4-carboxylic acid has a molecular weight of 2858.71 g/mol, XLogP of 38.20, 22 rotatable bonds, 11 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-chlorophenyl)-1,3-benzoxazole-4-carboxylic acid;2-(3-chlorophenyl)-1,3-benzoxazole-4-carboxylic acid;2-(3-chlorophenyl)-1,3-benzoxazole-7-carboxylic acid;2-(4-chlorophenyl)-1,3-benzoxazole-4-carboxylic acid;2-(4-chlorophenyl)-1,3-benzoxazole-7-carboxylic acid;2-(2-fluorophenyl)-1,3-benzoxazole-4-carboxylic acid;2-(3-fluorophenyl)-1,3-benzoxazole-7-carboxylic acid;2-(4-fluorophenyl)-1,3-benzoxazole-7-carboxylic acid;2-phenyl-1,3-benzoxazole-4-carboxylic acid;2-phenyl-1,3-benzoxazole-7-carboxylic acid;2-pyridin-3-yl-1,3-benzoxazole-4-carboxylic acid is sourced from PubChem (CID 158208617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).