(2-pyridin-2-yl-1,3-benzoxazol-6-yl) 2-pyridin-4-ylacetate

C19H13N3O3 — CID 110494843

IUPAC(2-pyridin-2-yl-1,3-benzoxazol-6-yl) 2-pyridin-4-ylacetate
SMILESO=C(Cc1ccncc1)Oc1ccc2nc(-c3ccccn3)oc2c1
InChIInChI=1S/C19H13N3O3/c23-18(11-13-6-9-20-10-7-13)24-14-4-5-15-17(12-14)25-19(22-15)16-3-1-2-8-21-16/h1-10,12H,11H2
InChIKeyUSKWUKJGWVQYJV-UHFFFAOYSA-N
MW331.33 g/mol
LogP3.43
Rot. Bonds4

About (2-pyridin-2-yl-1,3-benzoxazol-6-yl) 2-pyridin-4-ylacetate

(2-pyridin-2-yl-1,3-benzoxazol-6-yl) 2-pyridin-4-ylacetate (PubChem CID 110494843) has the molecular formula C19H13N3O3 and a molecular weight of 331.33 g/mol. Its IUPAC name is (2-pyridin-2-yl-1,3-benzoxazol-6-yl) 2-pyridin-4-ylacetate.

Molecular Properties

Compound Name(2-pyridin-2-yl-1,3-benzoxazol-6-yl) 2-pyridin-4-ylacetate
PubChem CID110494843
Molecular FormulaC19H13N3O3
Molecular Weight331.33 g/mol
Exact Mass331.10
IUPAC Name(2-pyridin-2-yl-1,3-benzoxazol-6-yl) 2-pyridin-4-ylacetate
SMILESO=C(Cc1ccncc1)Oc1ccc2nc(-c3ccccn3)oc2c1
InChIInChI=1S/C19H13N3O3/c23-18(11-13-6-9-20-10-7-13)24-14-4-5-15-17(12-14)25-19(22-15)16-3-1-2-8-21-16/h1-10,12H,11H2
InChIKeyUSKWUKJGWVQYJV-UHFFFAOYSA-N
XLogP3.43
TPSA78.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.33
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

(2-pyridin-2-yl-1,3-benzoxazol-6-yl) 4-phenylmethoxybenzoate
CID 110494815
(2-pyridin-2-yl-1,3-benzoxazol-6-yl) 2-(2,4-dichlorophenoxy)acetate
CID 110494737
(2-phenyl-1,3-benzoxazol-6-yl) 2-(4-fluorophenyl)acetate
CID 110494576
(2-pyridin-2-yl-1,3-benzoxazol-6-yl) 3-ethoxybenzoate
CID 110494824
(2-pyridin-2-yl-1,3-benzoxazol-6-yl) 3,4-dimethoxybenzoate
CID 110494726
(2-pyridin-2-yl-1,3-benzoxazol-6-yl) 2-(1,3-dioxoisoindol-2-yl)propanoate
CID 110494772
(2-pyridin-2-yl-1,3-benzoxazol-6-yl) (E)-3-(4-fluorophenyl)prop-2-enoate
CID 110494779
(2-pyridin-2-yl-1,3-benzoxazol-6-yl) 4-(dimethylsulfamoyl)benzoate
CID 110494740
(2-pyridin-2-yl-1,3-benzoxazol-6-yl) 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
CID 110494797
(2-pyridin-2-yl-1,3-benzoxazol-6-yl) 4-ethylbenzenesulfonate
CID 110504473
(2-phenyl-1,3-benzoxazol-6-yl) acetate
CID 15662262
(2-phenyl-1,3-benzoxazol-6-yl) pentanoate
CID 110494543

Frequently Asked Questions

What is the IUPAC name of (2-pyridin-2-yl-1,3-benzoxazol-6-yl) 2-pyridin-4-ylacetate?
The IUPAC name of (2-pyridin-2-yl-1,3-benzoxazol-6-yl) 2-pyridin-4-ylacetate (CID 110494843) is (2-pyridin-2-yl-1,3-benzoxazol-6-yl) 2-pyridin-4-ylacetate.
What is the SMILES notation for (2-pyridin-2-yl-1,3-benzoxazol-6-yl) 2-pyridin-4-ylacetate?
The canonical SMILES for (2-pyridin-2-yl-1,3-benzoxazol-6-yl) 2-pyridin-4-ylacetate is O=C(Cc1ccncc1)Oc1ccc2nc(-c3ccccn3)oc2c1.
What is the InChIKey of (2-pyridin-2-yl-1,3-benzoxazol-6-yl) 2-pyridin-4-ylacetate?
The InChIKey is USKWUKJGWVQYJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N3O3/c23-18(11-13-6-9-20-10-7-13)24-14-4-5-15-17(12-14)25-19(22-15)16-3-1-2-8-21-16/h1-10,12H,11H2.
What are the key properties of (2-pyridin-2-yl-1,3-benzoxazol-6-yl) 2-pyridin-4-ylacetate?
(2-pyridin-2-yl-1,3-benzoxazol-6-yl) 2-pyridin-4-ylacetate has a molecular weight of 331.33 g/mol, XLogP of 3.43, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-pyridin-2-yl-1,3-benzoxazol-6-yl) 2-pyridin-4-ylacetate is sourced from PubChem (CID 110494843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).