2-(2-pyridin-2-yl-1,3-benzoxazol-5-yl)acetic acid

C14H10N2O3 — CID 1478216

IUPAC2-(2-pyridin-2-yl-1,3-benzoxazol-5-yl)acetic acid
SMILESO=C(O)Cc1ccc2oc(-c3ccccn3)nc2c1
InChIInChI=1S/C14H10N2O3/c17-13(18)8-9-4-5-12-11(7-9)16-14(19-12)10-3-1-2-6-15-10/h1-7H,8H2,(H,17,18)
InChIKeyIKBOAJLWQAOSKB-UHFFFAOYSA-N
MW254.25 g/mol
LogP2.52
Rot. Bonds3

About 2-(2-pyridin-2-yl-1,3-benzoxazol-5-yl)acetic acid

2-(2-pyridin-2-yl-1,3-benzoxazol-5-yl)acetic acid (PubChem CID 1478216) has the molecular formula C14H10N2O3 and a molecular weight of 254.25 g/mol. Its IUPAC name is 2-(2-pyridin-2-yl-1,3-benzoxazol-5-yl)acetic acid.

Molecular Properties

Compound Name2-(2-pyridin-2-yl-1,3-benzoxazol-5-yl)acetic acid
PubChem CID1478216
Molecular FormulaC14H10N2O3
Molecular Weight254.25 g/mol
Exact Mass254.07
IUPAC Name2-(2-pyridin-2-yl-1,3-benzoxazol-5-yl)acetic acid
SMILESO=C(O)Cc1ccc2oc(-c3ccccn3)nc2c1
InChIInChI=1S/C14H10N2O3/c17-13(18)8-9-4-5-12-11(7-9)16-14(19-12)10-3-1-2-6-15-10/h1-7H,8H2,(H,17,18)
InChIKeyIKBOAJLWQAOSKB-UHFFFAOYSA-N
XLogP2.52
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-pyridin-2-yl-1,3-benzoxazol-5-yl)acetic acid?
The IUPAC name of 2-(2-pyridin-2-yl-1,3-benzoxazol-5-yl)acetic acid (CID 1478216) is 2-(2-pyridin-2-yl-1,3-benzoxazol-5-yl)acetic acid.
What is the SMILES notation for 2-(2-pyridin-2-yl-1,3-benzoxazol-5-yl)acetic acid?
The canonical SMILES for 2-(2-pyridin-2-yl-1,3-benzoxazol-5-yl)acetic acid is O=C(O)Cc1ccc2oc(-c3ccccn3)nc2c1.
What is the InChIKey of 2-(2-pyridin-2-yl-1,3-benzoxazol-5-yl)acetic acid?
The InChIKey is IKBOAJLWQAOSKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O3/c17-13(18)8-9-4-5-12-11(7-9)16-14(19-12)10-3-1-2-6-15-10/h1-7H,8H2,(H,17,18).
What are the key properties of 2-(2-pyridin-2-yl-1,3-benzoxazol-5-yl)acetic acid?
2-(2-pyridin-2-yl-1,3-benzoxazol-5-yl)acetic acid has a molecular weight of 254.25 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-pyridin-2-yl-1,3-benzoxazol-5-yl)acetic acid is sourced from PubChem (CID 1478216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).