2-(1,2-benzoxazol-3-yl)-N-pyridin-2-ylacetamide

C14H11N3O2 — CID 1235386

IUPAC2-(1,2-benzoxazol-3-yl)-N-pyridin-2-ylacetamide
SMILESO=C(Cc1noc2ccccc12)Nc1ccccn1
InChIInChI=1S/C14H11N3O2/c18-14(16-13-7-3-4-8-15-13)9-11-10-5-1-2-6-12(10)19-17-11/h1-8H,9H2,(H,15,16,18)
InChIKeyKSRURYIPXQWAMA-UHFFFAOYSA-N
MW253.26 g/mol
LogP2.40
Rot. Bonds3

About 2-(1,2-benzoxazol-3-yl)-N-pyridin-2-ylacetamide

2-(1,2-benzoxazol-3-yl)-N-pyridin-2-ylacetamide (PubChem CID 1235386) has the molecular formula C14H11N3O2 and a molecular weight of 253.26 g/mol. Its IUPAC name is 2-(1,2-benzoxazol-3-yl)-N-pyridin-2-ylacetamide.

Molecular Properties

Compound Name2-(1,2-benzoxazol-3-yl)-N-pyridin-2-ylacetamide
PubChem CID1235386
Molecular FormulaC14H11N3O2
Molecular Weight253.26 g/mol
Exact Mass253.09
IUPAC Name2-(1,2-benzoxazol-3-yl)-N-pyridin-2-ylacetamide
SMILESO=C(Cc1noc2ccccc12)Nc1ccccn1
InChIInChI=1S/C14H11N3O2/c18-14(16-13-7-3-4-8-15-13)9-11-10-5-1-2-6-12(10)19-17-11/h1-8H,9H2,(H,15,16,18)
InChIKeyKSRURYIPXQWAMA-UHFFFAOYSA-N
XLogP2.40
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2-benzoxazol-3-yl)-N-pyridin-2-ylacetamide?
The IUPAC name of 2-(1,2-benzoxazol-3-yl)-N-pyridin-2-ylacetamide (CID 1235386) is 2-(1,2-benzoxazol-3-yl)-N-pyridin-2-ylacetamide.
What is the SMILES notation for 2-(1,2-benzoxazol-3-yl)-N-pyridin-2-ylacetamide?
The canonical SMILES for 2-(1,2-benzoxazol-3-yl)-N-pyridin-2-ylacetamide is O=C(Cc1noc2ccccc12)Nc1ccccn1.
What is the InChIKey of 2-(1,2-benzoxazol-3-yl)-N-pyridin-2-ylacetamide?
The InChIKey is KSRURYIPXQWAMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2/c18-14(16-13-7-3-4-8-15-13)9-11-10-5-1-2-6-12(10)19-17-11/h1-8H,9H2,(H,15,16,18).
What are the key properties of 2-(1,2-benzoxazol-3-yl)-N-pyridin-2-ylacetamide?
2-(1,2-benzoxazol-3-yl)-N-pyridin-2-ylacetamide has a molecular weight of 253.26 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-benzoxazol-3-yl)-N-pyridin-2-ylacetamide is sourced from PubChem (CID 1235386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).