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

C20H12Cl2N2O4 — CID 110494737

IUPAC(2-pyridin-2-yl-1,3-benzoxazol-6-yl) 2-(2,4-dichlorophenoxy)acetate
SMILESO=C(COc1ccc(Cl)cc1Cl)Oc1ccc2nc(-c3ccccn3)oc2c1
InChIInChI=1S/C20H12Cl2N2O4/c21-12-4-7-17(14(22)9-12)26-11-19(25)27-13-5-6-15-18(10-13)28-20(24-15)16-3-1-2-8-23-16/h1-10H,11H2
InChIKeyUAPALNIOTMEQDL-UHFFFAOYSA-N
MW415.23 g/mol
LogP5.18
Rot. Bonds5

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

(2-pyridin-2-yl-1,3-benzoxazol-6-yl) 2-(2,4-dichlorophenoxy)acetate (PubChem CID 110494737) has the molecular formula C20H12Cl2N2O4 and a molecular weight of 415.23 g/mol. Its IUPAC name is (2-pyridin-2-yl-1,3-benzoxazol-6-yl) 2-(2,4-dichlorophenoxy)acetate.

Molecular Properties

Compound Name(2-pyridin-2-yl-1,3-benzoxazol-6-yl) 2-(2,4-dichlorophenoxy)acetate
PubChem CID110494737
Molecular FormulaC20H12Cl2N2O4
Molecular Weight415.23 g/mol
Exact Mass414.02
IUPAC Name(2-pyridin-2-yl-1,3-benzoxazol-6-yl) 2-(2,4-dichlorophenoxy)acetate
SMILESO=C(COc1ccc(Cl)cc1Cl)Oc1ccc2nc(-c3ccccn3)oc2c1
InChIInChI=1S/C20H12Cl2N2O4/c21-12-4-7-17(14(22)9-12)26-11-19(25)27-13-5-6-15-18(10-13)28-20(24-15)16-3-1-2-8-23-16/h1-10H,11H2
InChIKeyUAPALNIOTMEQDL-UHFFFAOYSA-N
XLogP5.18
TPSA74.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.23
LogP ≤ 55.18
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) 2-pyridin-4-ylacetate
CID 110494843
(2-pyridin-2-yl-1,3-benzoxazol-6-yl) 3,4-dimethoxybenzoate
CID 110494726
(4-methoxyphenyl) 2-(2,4-dichlorophenoxy)acetate
CID 914130
(2-pyridin-2-yl-1,3-benzoxazol-6-yl) 4-phenylmethoxybenzoate
CID 110494815
(2-pyridin-2-yl-1,3-benzoxazol-6-yl) 3-ethoxybenzoate
CID 110494824
(4-ethyl-2-oxochromen-7-yl) 2-(2,4-dichlorophenoxy)acetate
CID 7925899
(2-oxochromen-7-yl) 2-(2-chlorophenoxy)acetate
CID 8921423
(2-formylnaphthalen-1-yl) 2-(2,4-dichlorophenoxy)acetate
CID 23010873
(2-oxochromen-7-yl) 2-(2-bromo-4-chlorophenoxy)acetate
CID 7920899
(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-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
CID 110494797
2-phenoxyethyl 3-[2-(2,4-dichlorophenoxy)acetyl]oxybenzoate
CID 17161809

Frequently Asked Questions

What is the IUPAC name of (2-pyridin-2-yl-1,3-benzoxazol-6-yl) 2-(2,4-dichlorophenoxy)acetate?
The IUPAC name of (2-pyridin-2-yl-1,3-benzoxazol-6-yl) 2-(2,4-dichlorophenoxy)acetate (CID 110494737) is (2-pyridin-2-yl-1,3-benzoxazol-6-yl) 2-(2,4-dichlorophenoxy)acetate.
What is the SMILES notation for (2-pyridin-2-yl-1,3-benzoxazol-6-yl) 2-(2,4-dichlorophenoxy)acetate?
The canonical SMILES for (2-pyridin-2-yl-1,3-benzoxazol-6-yl) 2-(2,4-dichlorophenoxy)acetate is O=C(COc1ccc(Cl)cc1Cl)Oc1ccc2nc(-c3ccccn3)oc2c1.
What is the InChIKey of (2-pyridin-2-yl-1,3-benzoxazol-6-yl) 2-(2,4-dichlorophenoxy)acetate?
The InChIKey is UAPALNIOTMEQDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12Cl2N2O4/c21-12-4-7-17(14(22)9-12)26-11-19(25)27-13-5-6-15-18(10-13)28-20(24-15)16-3-1-2-8-23-16/h1-10H,11H2.
What are the key properties of (2-pyridin-2-yl-1,3-benzoxazol-6-yl) 2-(2,4-dichlorophenoxy)acetate?
(2-pyridin-2-yl-1,3-benzoxazol-6-yl) 2-(2,4-dichlorophenoxy)acetate has a molecular weight of 415.23 g/mol, XLogP of 5.18, 5 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-(2,4-dichlorophenoxy)acetate is sourced from PubChem (CID 110494737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).