2-(2-pyridin-3-yl-1,3-benzoxazol-6-yl)propanoic acid

C15H12N2O3 — CID 67405826

IUPAC2-(2-pyridin-3-yl-1,3-benzoxazol-6-yl)propanoic acid
SMILESCC(C(=O)O)c1ccc2nc(-c3cccnc3)oc2c1
InChIInChI=1S/C15H12N2O3/c1-9(15(18)19)10-4-5-12-13(7-10)20-14(17-12)11-3-2-6-16-8-11/h2-9H,1H3,(H,18,19)
InChIKeySNPZSPROYWFPIU-UHFFFAOYSA-N
MW268.27 g/mol
LogP3.08
Rot. Bonds3

About 2-(2-pyridin-3-yl-1,3-benzoxazol-6-yl)propanoic acid

2-(2-pyridin-3-yl-1,3-benzoxazol-6-yl)propanoic acid (PubChem CID 67405826) has the molecular formula C15H12N2O3 and a molecular weight of 268.27 g/mol. Its IUPAC name is 2-(2-pyridin-3-yl-1,3-benzoxazol-6-yl)propanoic acid.

Molecular Properties

Compound Name2-(2-pyridin-3-yl-1,3-benzoxazol-6-yl)propanoic acid
PubChem CID67405826
Molecular FormulaC15H12N2O3
Molecular Weight268.27 g/mol
Exact Mass268.08
IUPAC Name2-(2-pyridin-3-yl-1,3-benzoxazol-6-yl)propanoic acid
SMILESCC(C(=O)O)c1ccc2nc(-c3cccnc3)oc2c1
InChIInChI=1S/C15H12N2O3/c1-9(15(18)19)10-4-5-12-13(7-10)20-14(17-12)11-3-2-6-16-8-11/h2-9H,1H3,(H,18,19)
InChIKeySNPZSPROYWFPIU-UHFFFAOYSA-N
XLogP3.08
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-pyridin-3-yl-1,3-benzoxazol-6-yl)propanoic acid?
The IUPAC name of 2-(2-pyridin-3-yl-1,3-benzoxazol-6-yl)propanoic acid (CID 67405826) is 2-(2-pyridin-3-yl-1,3-benzoxazol-6-yl)propanoic acid.
What is the SMILES notation for 2-(2-pyridin-3-yl-1,3-benzoxazol-6-yl)propanoic acid?
The canonical SMILES for 2-(2-pyridin-3-yl-1,3-benzoxazol-6-yl)propanoic acid is CC(C(=O)O)c1ccc2nc(-c3cccnc3)oc2c1.
What is the InChIKey of 2-(2-pyridin-3-yl-1,3-benzoxazol-6-yl)propanoic acid?
The InChIKey is SNPZSPROYWFPIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O3/c1-9(15(18)19)10-4-5-12-13(7-10)20-14(17-12)11-3-2-6-16-8-11/h2-9H,1H3,(H,18,19).
What are the key properties of 2-(2-pyridin-3-yl-1,3-benzoxazol-6-yl)propanoic acid?
2-(2-pyridin-3-yl-1,3-benzoxazol-6-yl)propanoic acid has a molecular weight of 268.27 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-pyridin-3-yl-1,3-benzoxazol-6-yl)propanoic acid is sourced from PubChem (CID 67405826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).