2-(2,3-dichlorophenoxy)-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide

C21H15Cl2N3O3 — CID 46871958

IUPAC2-(2,3-dichlorophenoxy)-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide
SMILESCC(Oc1cccc(Cl)c1Cl)C(=O)Nc1ccc2oc(-c3ccncc3)nc2c1
InChIInChI=1S/C21H15Cl2N3O3/c1-12(28-18-4-2-3-15(22)19(18)23)20(27)25-14-5-6-17-16(11-14)26-21(29-17)13-7-9-24-10-8-13/h2-12H,1H3,(H,25,27)
InChIKeyHRXGXBGJVNUGSX-UHFFFAOYSA-N
MW428.28 g/mol
LogP5.60
Rot. Bonds5

About 2-(2,3-dichlorophenoxy)-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide

2-(2,3-dichlorophenoxy)-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide (PubChem CID 46871958) has the molecular formula C21H15Cl2N3O3 and a molecular weight of 428.28 g/mol. Its IUPAC name is 2-(2,3-dichlorophenoxy)-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide.

Molecular Properties

Compound Name2-(2,3-dichlorophenoxy)-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide
PubChem CID46871958
Molecular FormulaC21H15Cl2N3O3
Molecular Weight428.28 g/mol
Exact Mass427.05
IUPAC Name2-(2,3-dichlorophenoxy)-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide
SMILESCC(Oc1cccc(Cl)c1Cl)C(=O)Nc1ccc2oc(-c3ccncc3)nc2c1
InChIInChI=1S/C21H15Cl2N3O3/c1-12(28-18-4-2-3-15(22)19(18)23)20(27)25-14-5-6-17-16(11-14)26-21(29-17)13-7-9-24-10-8-13/h2-12H,1H3,(H,25,27)
InChIKeyHRXGXBGJVNUGSX-UHFFFAOYSA-N
XLogP5.60
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.28
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dichlorophenoxy)-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide?
The IUPAC name of 2-(2,3-dichlorophenoxy)-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide (CID 46871958) is 2-(2,3-dichlorophenoxy)-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide.
What is the SMILES notation for 2-(2,3-dichlorophenoxy)-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide?
The canonical SMILES for 2-(2,3-dichlorophenoxy)-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide is CC(Oc1cccc(Cl)c1Cl)C(=O)Nc1ccc2oc(-c3ccncc3)nc2c1.
What is the InChIKey of 2-(2,3-dichlorophenoxy)-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide?
The InChIKey is HRXGXBGJVNUGSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15Cl2N3O3/c1-12(28-18-4-2-3-15(22)19(18)23)20(27)25-14-5-6-17-16(11-14)26-21(29-17)13-7-9-24-10-8-13/h2-12H,1H3,(H,25,27).
What are the key properties of 2-(2,3-dichlorophenoxy)-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide?
2-(2,3-dichlorophenoxy)-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide has a molecular weight of 428.28 g/mol, XLogP of 5.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dichlorophenoxy)-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide is sourced from PubChem (CID 46871958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).